 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer01_STD_LCPBE_augccpVDZ.in
 Output=12_L-valine_conformer01_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-122756.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    122773.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=12_L-valine_conformer01_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=033700000
 0,3/108=0337000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=337000000,108=337000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "12_L-valine_conformer01_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.402321000000     -0.324803000000     -0.691175000000
  C                                                 1.066507000000     -0.567672000000      0.007328000000
  C                                                -0.024429000000      0.362752000000     -0.585977000000
  C                                                -1.397283000000     -0.077948000000     -0.093492000000
  O                                                -1.783162000000     -1.252166000000     -0.644037000000
  C                                                 1.193771000000     -0.401333000000      1.521948000000
  N                                                 0.250162000000      1.761590000000     -0.305646000000
  O                                                -2.076243000000      0.515013000000      0.704731000000
  H                                                -0.013738000000      0.217520000000     -1.668707000000
  H                                                 0.746938000000     -1.591919000000     -0.201878000000
  H                                                -2.645686000000     -1.478069000000     -0.261271000000
  H                                                -0.282255000000      2.356926000000     -0.927888000000
  H                                                -0.057810000000      1.989245000000      0.633366000000
  H                                                 1.549661000000      0.599343000000      1.774413000000
  H                                                 0.244241000000     -0.564166000000      2.035583000000
  H                                                 1.915182000000     -1.116450000000      1.920072000000
  H                                                 2.328990000000     -0.520041000000     -1.763324000000
  H                                                 2.720648000000      0.708970000000     -0.556172000000
  H                                                 3.172613000000     -0.981246000000     -0.282025000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.402321   -0.324803   -0.691175
      2          6           0        1.066507   -0.567672    0.007328
      3          6           0       -0.024429    0.362752   -0.585977
      4          6           0       -1.397283   -0.077948   -0.093492
      5          8           0       -1.783162   -1.252166   -0.644037
      6          6           0        1.193771   -0.401333    1.521948
      7          7           0        0.250162    1.761590   -0.305646
      8          8           0       -2.076243    0.515013    0.704731
      9          1           0       -0.013738    0.217520   -1.668707
     10          1           0        0.746938   -1.591919   -0.201878
     11          1           0       -2.645686   -1.478069   -0.261271
     12          1           0       -0.282255    2.356926   -0.927888
     13          1           0       -0.057810    1.989245    0.633366
     14          1           0        1.549661    0.599343    1.774413
     15          1           0        0.244241   -0.564166    2.035583
     16          1           0        1.915182   -1.116450    1.920072
     17          1           0        2.328990   -0.520041   -1.763324
     18          1           0        2.720648    0.708970   -0.556172
     19          1           0        3.172613   -0.981246   -0.282025
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526857   0.000000
     3  C    2.524463   1.551722   0.000000
     4  C    3.854238   2.514012   1.523642   0.000000
     5  O    4.287248   3.002236   2.388404   1.353067   0.000000
     6  C    2.522769   1.529032   2.551702   3.070470   3.778563
     7  N    3.022161   2.487938   1.452836   2.478504   3.651252
     8  O    4.765646   3.396389   2.428796   1.204055   2.242319
     9  H    2.662147   2.143023   1.092479   2.117262   2.518092
    10  H    2.141328   1.093148   2.136183   2.627078   2.590819
    11  H    5.195884   3.831624   3.219479   1.883348   0.970304
    12  H    3.801927   3.353664   2.039634   2.805016   3.919035
    13  H    3.627874   2.862488   2.033074   2.568228   3.887846
    14  H    2.767706   2.172085   2.846959   3.554191   4.514941
    15  H    3.485658   2.188596   2.793553   2.732027   3.429879
    16  H    2.771754   2.163330   3.497200   4.013147   4.502313
    17  H    1.092245   2.175164   2.775617   4.107176   4.324188
    18  H    1.090066   2.164146   2.766984   4.217899   4.913052
    19  H    1.091637   2.165745   3.481350   4.662128   4.976360
                    6          7          8          9         10
     6  C    0.000000
     7  N    2.984750   0.000000
     8  O    3.492925   2.826124   0.000000
     9  H    3.467180   2.076471   3.158423   0.000000
    10  H    2.142132   3.391692   3.637506   2.450364   0.000000
    11  H    4.368142   4.345491   2.286876   3.432645   3.395053
    12  H    3.973455   1.012461   3.045732   2.279906   4.144841
    13  H    2.840932   1.014109   2.500505   2.905252   3.764304
    14  H    1.091672   2.714067   3.781337   3.800668   3.058058
    15  H    1.091761   3.300080   2.884517   3.794648   2.513009
    16  H    1.091022   4.001153   4.479978   4.287137   2.468509
    17  H    3.477905   3.413531   5.154484   2.457910   2.467777
    18  H    2.807616   2.697049   4.963634   2.992678   3.052072
    19  H    2.739787   4.008045   5.546437   3.675971   2.502647
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.553830   0.000000
    13  H    4.418115   1.619592   0.000000
    14  H    5.104957   3.707755   2.412007   0.000000
    15  H    3.802951   4.194298   2.928712   1.768074   0.000000
    16  H    5.068584   5.000395   3.897903   1.760332   1.763634
    17  H    5.284069   3.974103   4.211586   3.791564   4.333569
    18  H    5.802383   3.445484   3.282367   2.610528   3.804032
    19  H    5.839509   4.847334   4.483011   3.059603   3.757742
                   16         17         18         19
    16  H    0.000000
    17  H    3.754244   0.000000
    18  H    3.180050   1.766658   0.000000
    19  H    2.539418   1.765972   1.770949   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.40D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.402321   -0.324803   -0.691175
      2          6           0        1.066507   -0.567672    0.007328
      3          6           0       -0.024429    0.362752   -0.585977
      4          6           0       -1.397283   -0.077948   -0.093492
      5          8           0       -1.783162   -1.252166   -0.644037
      6          6           0        1.193771   -0.401333    1.521948
      7          7           0        0.250162    1.761590   -0.305646
      8          8           0       -2.076243    0.515013    0.704731
      9          1           0       -0.013738    0.217520   -1.668707
     10          1           0        0.746938   -1.591919   -0.201878
     11          1           0       -2.645686   -1.478069   -0.261271
     12          1           0       -0.282255    2.356926   -0.927888
     13          1           0       -0.057810    1.989245    0.633366
     14          1           0        1.549661    0.599343    1.774413
     15          1           0        0.244241   -0.564166    2.035583
     16          1           0        1.915182   -1.116450    1.920072
     17          1           0        2.328990   -0.520041   -1.763324
     18          1           0        2.720648    0.708970   -0.556172
     19          1           0        3.172613   -0.981246   -0.282025
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.9389248           1.4333902           1.3298945
 Leave Link  202 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.8503088607 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.337000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.337000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:19:55 2021, MaxMem=  5637144576 cpu:              11.2 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  6.79D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               2.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer01_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636960417 LenY=  5636870575
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.231006022003    
 DIIS: error= 3.25D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.231006022003     IErMin= 1 ErrMin= 3.25D-03
 ErrMax= 3.25D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-02 BMatP= 1.07D-02
 IDIUse=3 WtCom= 9.67D-01 WtEn= 3.25D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.437 Goal=   None    Shift=    0.000
 GapD=    0.437 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.06D-02 MaxDP=1.01D+00              OVMax= 1.98D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.04D-02    CP:  1.07D+00
 E= -401.240507678627     Delta-E=       -0.009501656624 Rises=F Damp=F
 DIIS: error= 1.18D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.240507678627     IErMin= 2 ErrMin= 1.18D-03
 ErrMax= 1.18D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-03 BMatP= 1.07D-02
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.18D-02
 Coeff-Com:  0.134D+00 0.866D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.132D+00 0.868D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.75D-03 MaxDP=1.47D-01 DE=-9.50D-03 OVMax= 1.15D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.16D-04    CP:  1.08D+00  1.14D+00
 E= -401.240943511570     Delta-E=       -0.000435832943 Rises=F Damp=F
 DIIS: error= 1.08D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.240943511570     IErMin= 3 ErrMin= 1.08D-03
 ErrMax= 1.08D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-03 BMatP= 1.39D-03
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.08D-02
 Coeff-Com: -0.405D-01 0.470D+00 0.570D+00
 Coeff-En:   0.000D+00 0.367D+00 0.633D+00
 Coeff:     -0.401D-01 0.469D+00 0.571D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=5.63D-04 MaxDP=4.35D-02 DE=-4.36D-04 OVMax= 5.11D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.58D-04    CP:  1.09D+00  1.19D+00  1.18D+00
 E= -401.241685489306     Delta-E=       -0.000741977736 Rises=F Damp=F
 DIIS: error= 1.50D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.241685489306     IErMin= 4 ErrMin= 1.50D-04
 ErrMax= 1.50D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.04D-05 BMatP= 1.06D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.50D-03
 Coeff-Com: -0.167D-01 0.113D+00 0.182D+00 0.721D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.167D-01 0.113D+00 0.182D+00 0.722D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=1.36D-04 MaxDP=8.11D-03 DE=-7.42D-04 OVMax= 1.42D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.75D-05    CP:  1.09D+00  1.19D+00  1.27D+00  1.09D+00
 E= -401.241700646101     Delta-E=       -0.000015156795 Rises=F Damp=F
 DIIS: error= 9.66D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.241700646101     IErMin= 5 ErrMin= 9.66D-05
 ErrMax= 9.66D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.54D-06 BMatP= 2.04D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.837D-03-0.512D-01-0.371D-01 0.392D+00 0.695D+00
 Coeff:      0.837D-03-0.512D-01-0.371D-01 0.392D+00 0.695D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=7.47D-05 MaxDP=5.13D-03 DE=-1.52D-05 OVMax= 7.29D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.36D-05    CP:  1.09D+00  1.20D+00  1.32D+00  1.18D+00  1.37D+00
 E= -401.241707230328     Delta-E=       -0.000006584227 Rises=F Damp=F
 DIIS: error= 1.43D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.241707230328     IErMin= 6 ErrMin= 1.43D-05
 ErrMax= 1.43D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.22D-07 BMatP= 7.54D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.170D-02-0.280D-01-0.290D-01 0.863D-01 0.250D+00 0.718D+00
 Coeff:      0.170D-02-0.280D-01-0.290D-01 0.863D-01 0.250D+00 0.718D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=1.71D-05 MaxDP=1.37D-03 DE=-6.58D-06 OVMax= 2.59D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.41D-06    CP:  1.09D+00  1.20D+00  1.33D+00  1.20D+00  1.49D+00
                    CP:  1.29D+00
 E= -401.241707608215     Delta-E=       -0.000000377887 Rises=F Damp=F
 DIIS: error= 4.30D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.241707608215     IErMin= 7 ErrMin= 4.30D-06
 ErrMax= 4.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.29D-08 BMatP= 3.22D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.261D-03 0.790D-03-0.126D-02-0.309D-01-0.305D-01 0.157D+00
 Coeff-Com:  0.905D+00
 Coeff:      0.261D-03 0.790D-03-0.126D-02-0.309D-01-0.305D-01 0.157D+00
 Coeff:      0.905D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=6.21D-06 MaxDP=7.10D-04 DE=-3.78D-07 OVMax= 1.45D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.43D-06    CP:  1.09D+00  1.20D+00  1.33D+00  1.20D+00  1.55D+00
                    CP:  1.37D+00  1.15D+00
 E= -401.241707657571     Delta-E=       -0.000000049357 Rises=F Damp=F
 DIIS: error= 1.42D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.241707657571     IErMin= 8 ErrMin= 1.42D-06
 ErrMax= 1.42D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.08D-09 BMatP= 2.29D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.114D-03 0.262D-02 0.238D-02-0.142D-01-0.274D-01-0.387D-01
 Coeff-Com:  0.164D+00 0.912D+00
 Coeff:     -0.114D-03 0.262D-02 0.238D-02-0.142D-01-0.274D-01-0.387D-01
 Coeff:      0.164D+00 0.912D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=1.72D-06 MaxDP=1.84D-04 DE=-4.94D-08 OVMax= 5.56D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.80D-07    CP:  1.09D+00  1.20D+00  1.33D+00  1.20D+00  1.56D+00
                    CP:  1.39D+00  1.22D+00  1.19D+00
 E= -401.241707662669     Delta-E=       -0.000000005097 Rises=F Damp=F
 DIIS: error= 5.19D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.241707662669     IErMin= 9 ErrMin= 5.19D-07
 ErrMax= 5.19D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.62D-10 BMatP= 2.08D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.563D-04 0.719D-03 0.855D-03-0.142D-02-0.519D-02-0.290D-01
 Coeff-Com: -0.457D-01 0.302D+00 0.778D+00
 Coeff:     -0.563D-04 0.719D-03 0.855D-03-0.142D-02-0.519D-02-0.290D-01
 Coeff:     -0.457D-01 0.302D+00 0.778D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=3.05D-07 MaxDP=1.66D-05 DE=-5.10D-09 OVMax= 1.78D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.96D-07    CP:  1.09D+00  1.20D+00  1.33D+00  1.20D+00  1.56D+00
                    CP:  1.39D+00  1.24D+00  1.26D+00  1.10D+00
 E= -401.241707663335     Delta-E=       -0.000000000666 Rises=F Damp=F
 DIIS: error= 1.81D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.241707663335     IErMin=10 ErrMin= 1.81D-07
 ErrMax= 1.81D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.35D-11 BMatP= 3.62D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.213D-05-0.200D-03-0.126D-03 0.173D-02 0.291D-02-0.134D-02
 Coeff-Com: -0.350D-01-0.527D-01 0.170D+00 0.915D+00
 Coeff:      0.213D-05-0.200D-03-0.126D-03 0.173D-02 0.291D-02-0.134D-02
 Coeff:     -0.350D-01-0.527D-01 0.170D+00 0.915D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=1.50D-07 MaxDP=1.45D-05 DE=-6.66D-10 OVMax= 7.52D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.26D-08    CP:  1.09D+00  1.20D+00  1.33D+00  1.20D+00  1.56D+00
                    CP:  1.39D+00  1.24D+00  1.28D+00  1.17D+00  1.18D+00
 E= -401.241707663388     Delta-E=       -0.000000000053 Rises=F Damp=F
 DIIS: error= 6.04D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.241707663388     IErMin=11 ErrMin= 6.04D-08
 ErrMax= 6.04D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.65D-12 BMatP= 3.35D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.568D-05-0.126D-03-0.119D-03 0.608D-03 0.136D-02 0.236D-02
 Coeff-Com: -0.581D-02-0.428D-01-0.284D-01 0.251D+00 0.822D+00
 Coeff:      0.568D-05-0.126D-03-0.119D-03 0.608D-03 0.136D-02 0.236D-02
 Coeff:     -0.581D-02-0.428D-01-0.284D-01 0.251D+00 0.822D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=5.20D-08 MaxDP=6.17D-06 DE=-5.33D-11 OVMax= 1.98D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.71D-08    CP:  1.09D+00  1.20D+00  1.33D+00  1.20D+00  1.56D+00
                    CP:  1.39D+00  1.24D+00  1.27D+00  1.18D+00  1.25D+00
                    CP:  1.13D+00
 E= -401.241707663417     Delta-E=       -0.000000000029 Rises=F Damp=F
 DIIS: error= 1.69D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -401.241707663417     IErMin=12 ErrMin= 1.69D-08
 ErrMax= 1.69D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.31D-13 BMatP= 3.65D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.149D-05-0.130D-04-0.200D-04-0.191D-04 0.622D-04 0.716D-03
 Coeff-Com:  0.187D-02-0.455D-02-0.248D-01-0.339D-01 0.178D+00 0.883D+00
 Coeff:      0.149D-05-0.130D-04-0.200D-04-0.191D-04 0.622D-04 0.716D-03
 Coeff:      0.187D-02-0.455D-02-0.248D-01-0.339D-01 0.178D+00 0.883D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=1.45D-08 MaxDP=5.29D-07 DE=-2.93D-11 OVMax= 6.64D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.05D-08    CP:  1.09D+00  1.20D+00  1.33D+00  1.20D+00  1.56D+00
                    CP:  1.39D+00  1.24D+00  1.27D+00  1.18D+00  1.27D+00
                    CP:  1.20D+00  1.02D+00
 E= -401.241707663403     Delta-E=        0.000000000014 Rises=F Damp=F
 DIIS: error= 5.50D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -401.241707663417     IErMin=13 ErrMin= 5.50D-09
 ErrMax= 5.50D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.32D-14 BMatP= 3.31D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.306D-06 0.114D-04 0.835D-05-0.743D-04-0.142D-03-0.753D-04
 Coeff-Com:  0.113D-02 0.402D-02-0.371D-02-0.370D-01-0.501D-01 0.252D+00
 Coeff-Com:  0.834D+00
 Coeff:     -0.306D-06 0.114D-04 0.835D-05-0.743D-04-0.142D-03-0.753D-04
 Coeff:      0.113D-02 0.402D-02-0.371D-02-0.370D-01-0.501D-01 0.252D+00
 Coeff:      0.834D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=7.14D-09 MaxDP=9.15D-07 DE= 1.44D-11 OVMax= 1.68D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -401.241707663     A.U. after   13 cycles
            NFock= 13  Conv=0.71D-08     -V/T= 2.0053
 KE= 3.991152612591D+02 PE=-1.754040739861D+03 EE= 5.458334620779D+02
 Leave Link  502 at Mon Aug 16 21:21:53 2021, MaxMem=  5637144576 cpu:             929.0 elap:             116.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.65415871D+02

 Leave Link  801 at Mon Aug 16 21:21:53 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 1.44D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.39D-01 4.66D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 2.16D-02 2.36D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 1.57D-03 8.41D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 8.32D-05 1.65D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 3.61D-06 2.45D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 1.19D-07 3.95D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 3.15D-09 6.21D-06.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 7.49D-11 8.15D-07.
      8 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 1.33D-12 1.13D-07.
      4 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 2.19D-14 1.64D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.879867D+02
      2  0.343827D+00  0.776004D+02
      3 -0.270068D+01  0.197378D+01  0.747852D+02
 Isotropic polarizability for W=    0.088559       80.12 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.699124D+02 -0.250643D+02  0.437209D+01
      2  -0.392390D+02  0.239578D+02 -0.121798D+02
      3  -0.306734D+02  0.110650D+01  0.780767D+01
      4  -0.236449D+02  0.388670D+02 -0.172248D+02
      5   0.111465D+02 -0.196652D+02  0.663773D+02
      6  -0.477441D+01 -0.336024D+00 -0.605343D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.166262D+01  0.620515D+00  0.456085D-01
      2   0.559732D+01 -0.633492D+01  0.334722D+02
      3   0.725817D+01 -0.248618D+02  0.734486D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.244032D+01  0.118437D+02  0.715993D+01
      2  -0.677440D+01 -0.124504D+02  0.970507D+02
      3   0.141939D+01 -0.781060D+02  0.148908D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.105109D+00 -0.920792D+00 -0.753531D+00
      2  -0.920792D+00 -0.271487D+00  0.215497D+00
      3  -0.753531D+00  0.215497D+00 -0.276083D+00
 OR G Eigenvalues:    -1.2746    -0.4850     1.1069  Iso=     0.2176
 Eigenvectors:
   (1)   0.712706   0.564849   0.415928
   (2)   0.038249  -0.623355   0.781003
   (3)   0.700419  -0.540717  -0.465873
 w=    0.088559 a.u., Optical Rotation Beta=      0.2176 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =       94.17 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 1.26D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.57D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 3.98D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 2.65D-02 1.83D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 1.08D-03 4.49D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.52D-05 3.76D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 2.05D-07 4.09D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 2.23D-09 5.28D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 1.85D-11 4.25D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 1.25D-13 2.90D-08.
      2 vectors produced by pass  8 Test12= 2.23D-14 2.78D-09 XBig12= 1.43D-15 4.14D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   242 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 7.72D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 7.72D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.86D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.879867D+02  0.343827D+00 -0.270068D+01
      2   0.343827D+00  0.776004D+02  0.197378D+01
      3  -0.270068D+01  0.197378D+01  0.747852D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.166262D+01  0.620515D+00  0.456085D-01
      2   0.559732D+01 -0.633492D+01  0.334722D+02
      3   0.725817D+01 -0.248618D+02  0.734486D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.699124D+02 -0.250643D+02  0.437209D+01
      2  -0.392390D+02  0.239578D+02 -0.121798D+02
      3  -0.306734D+02  0.110650D+01  0.780767D+01
      4  -0.236449D+02  0.388670D+02 -0.172248D+02
      5   0.111465D+02 -0.196652D+02  0.663773D+02
      6  -0.477441D+01 -0.336024D+00 -0.605343D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.117188D+00  0.207301D+01 -0.343156D+01  0.319349D+01 -0.382856D+01
      2   0.207301D+01 -0.323481D+01  0.677346D+00 -0.382856D+01 -0.309043D+01
      3  -0.343156D+01  0.677346D+00  0.113694D+01  0.492768D+00 -0.116964D+01
                 6             7             8             9            10 
      1   0.492768D+00 -0.452956D+01  0.923818D+00  0.161194D-01  0.192763D+01
      2  -0.116964D+01  0.923818D+00 -0.128992D+01  0.150581D+01 -0.182785D+01
      3   0.171939D+01  0.161194D-01  0.150581D+01  0.675456D+01  0.367364D+01
                11            12            13            14            15 
      1  -0.182785D+01  0.367364D+01 -0.486342D+01  0.378905D+01  0.597426D-01
      2   0.376105D+01 -0.126152D+00  0.378905D+01  0.438218D+01  0.200431D+01
      3  -0.126152D+00 -0.873415D+00  0.597426D-01  0.200431D+01 -0.648049D+00
                16            17            18            19            20 
      1   0.575263D+01 -0.391411D+00 -0.371633D+00 -0.241055D+01  0.513375D+01
      2  -0.391411D+00  0.231798D+01 -0.167980D+00  0.513375D+01 -0.507541D+00
      3  -0.371633D+00 -0.167980D+00 -0.512610D+01 -0.120828D+01  0.972706D-01
                21            22            23            24            25 
      1  -0.120828D+01  0.518532D+01 -0.866455D+00  0.251579D+00 -0.321107D+01
      2   0.972706D-01 -0.866455D+00 -0.764899D+00 -0.711761D+00 -0.259699D+00
      3  -0.293423D+00  0.251579D+00 -0.711761D+00  0.157813D+01 -0.428338D+00
                26            27            28            29            30 
      1  -0.259699D+00 -0.428338D+00  0.518875D+00 -0.345533D+01 -0.732049D+00
      2  -0.173115D+01  0.114929D+01 -0.345533D+01  0.831733D+00  0.155412D+01
      3   0.114929D+01  0.597732D+01 -0.732049D+00  0.155412D+01  0.768674D+00
                31            32            33            34            35 
      1  -0.363126D+01 -0.126204D+00  0.188202D+01 -0.366224D+01  0.170053D+01
      2  -0.126204D+00 -0.550302D+00  0.554288D+00  0.170053D+01  0.753687D-01
      3   0.188202D+01  0.554288D+00 -0.126745D+01  0.146792D+01 -0.108242D+01
                36            37            38            39            40 
      1   0.146792D+01  0.541823D+01  0.174801D+01 -0.170073D+01  0.677372D+00
      2  -0.108242D+01  0.174801D+01  0.180912D+01 -0.711538D+00  0.299403D+00
      3  -0.252378D+01 -0.170073D+01 -0.711538D+00  0.421225D+00 -0.114800D+01
                41            42            43            44            45 
      1   0.299403D+00 -0.114800D+01 -0.300051D+01 -0.174680D+01 -0.908135D+00
      2  -0.411124D+01 -0.165617D+01 -0.174680D+01 -0.238745D+01 -0.167633D+01
      3  -0.165617D+01 -0.860296D+00 -0.908135D+00 -0.167633D+01 -0.261889D+01
                46            47            48            49            50 
      1   0.108051D+01  0.235567D+01 -0.441530D+01  0.255861D+01 -0.361740D+01
      2   0.235567D+01 -0.340157D+01  0.511323D+00 -0.361740D+01 -0.246928D+01
      3  -0.441530D+01  0.511323D+00  0.793493D+00  0.532538D+00 -0.297569D+01
                51            52            53            54            55 
      1   0.532538D+00 -0.379498D+01  0.289482D+00  0.671068D+00  0.196526D+01
      2  -0.297569D+01  0.289482D+00 -0.236829D+01  0.551813D+00 -0.122786D+01
      3   0.128389D+01  0.671068D+00  0.551813D+00  0.305321D+01  0.837830D+00
                56            57            58            59            60 
      1  -0.122786D+01  0.837830D+00 -0.948405D+00  0.254538D+01 -0.817484D+00
      2   0.378663D+01 -0.772555D+00  0.254538D+01  0.125785D+01  0.783119D+00
      3  -0.772555D+00  0.246368D+01 -0.817484D+00  0.783119D+00 -0.167872D+01
                61            62            63            64            65 
      1   0.112765D+01 -0.128491D+01  0.248295D+01 -0.674285D+01  0.255560D+01
      2  -0.128491D+01  0.882143D+00 -0.157695D+01  0.255560D+01 -0.248385D+01
      3   0.248295D+01 -0.157695D+01 -0.226643D+01  0.281962D+01 -0.127173D+01
                66            67            68            69            70 
      1   0.281962D+01  0.392846D+01 -0.216090D+01 -0.109554D+01  0.539511D+01
      2  -0.127173D+01 -0.216090D+01  0.430147D+01  0.171063D+01 -0.874579D+00
      3  -0.193690D+01 -0.109554D+01  0.171063D+01  0.182080D+01 -0.289547D+01
                71            72            73            74            75 
      1  -0.874579D+00 -0.289547D+01  0.469527D+00 -0.675088D+00 -0.997520D+00
      2   0.233819D+01  0.209446D+01 -0.675088D+00  0.227101D+00 -0.596025D-01
      3   0.209446D+01  0.565857D+01 -0.997520D+00 -0.596025D-01  0.133787D+00
                76            77            78            79            80 
      1  -0.130820D+01  0.267607D+00  0.553732D-02 -0.146543D+01  0.252564D-01
      2   0.267607D+00  0.105961D+00 -0.107378D+01  0.252564D-01 -0.128603D+01
      3   0.553732D-02 -0.107378D+01 -0.672016D+00  0.487803D-01 -0.254201D+00
                81            82            83            84            85 
      1   0.487803D-01 -0.145076D+01 -0.103997D+01 -0.831117D+00 -0.136812D+01
      2  -0.254201D+00 -0.103997D+01 -0.141967D+01  0.967467D-02 -0.125722D+01
      3  -0.828379D+01 -0.831117D+00  0.967467D-02 -0.284509D+00 -0.354734D-01
                86            87            88            89            90 
      1  -0.125722D+01 -0.354734D-01 -0.116976D+01 -0.461418D-01 -0.109272D+00
      2  -0.717355D+01 -0.109188D+01 -0.461418D-01 -0.108491D+01 -0.120895D+01
      3  -0.109188D+01 -0.151752D+01 -0.109272D+00 -0.120895D+01 -0.115607D+00
                91            92            93            94            95 
      1  -0.770672D+01 -0.399632D+01  0.329866D+00 -0.213869D+01 -0.190182D+01
      2  -0.399632D+01 -0.347718D+01  0.355538D-01 -0.190182D+01 -0.247813D+01
      3   0.329866D+00  0.355538D-01 -0.117101D+01  0.177054D+00  0.119161D-01
                96            97            98            99           100 
      1   0.177054D+00  0.243139D+01  0.140424D+01 -0.100094D+01 -0.104116D+01
      2   0.119161D-01  0.140424D+01  0.120807D+01 -0.614252D+00  0.172362D+01
      3  -0.589306D+00 -0.100094D+01 -0.614252D+00  0.371701D+00 -0.991795D+00
               101           102           103           104           105 
      1   0.172362D+01 -0.991795D+00  0.181043D+01 -0.211567D+01  0.103931D+01
      2  -0.258241D+01  0.130616D+01 -0.211567D+01  0.491698D+01 -0.190936D+01
      3   0.130616D+01 -0.123483D+01  0.103931D+01 -0.190936D+01  0.168428D+01
               106           107           108           109           110 
      1  -0.186590D+01  0.152006D+01 -0.137512D+01 -0.250520D+00  0.455495D+00
      2   0.152006D+01 -0.323218D+01  0.221156D+01  0.455495D+00 -0.758591D+00
      3  -0.137512D+01  0.221156D+01 -0.235787D+01  0.233875D+00 -0.468450D+00
               111           112           113           114           115 
      1   0.233875D+00  0.607192D+00 -0.347683D+00 -0.462794D+00  0.147314D+01
      2  -0.468450D+00 -0.347683D+00  0.165120D+01  0.974641D+00 -0.340926D+00
      3  -0.903850D+00 -0.462794D+00  0.974641D+00  0.120384D+01 -0.763718D+00
               116           117           118           119           120 
      1  -0.340926D+00 -0.763718D+00  0.124527D+01  0.892284D+00  0.108472D+01
      2   0.261218D+01  0.151323D+01  0.892284D+00  0.165557D+01  0.508361D+00
      3   0.151323D+01  0.431921D+01  0.108472D+01  0.508361D+00  0.976003D+00
               121           122           123           124           125 
      1   0.166068D+01  0.148525D+01  0.856719D+00  0.813870D+00  0.376399D+00
      2   0.148525D+01  0.500548D+01  0.182447D+01  0.376399D+00  0.131087D+01
      3   0.856719D+00  0.182447D+01  0.272256D+01  0.426022D+00  0.116326D+01
               126           127           128           129           130 
      1   0.426022D+00 -0.488568D+01 -0.782025D+00  0.231667D+01 -0.834023D+00
      2   0.116326D+01 -0.782025D+00 -0.886312D+00  0.622284D+00 -0.386043D+00
      3   0.116189D+01  0.231667D+01  0.622284D+00 -0.354075D+01  0.319327D+00
               131           132           133           134           135 
      1  -0.386043D+00  0.319327D+00  0.207785D+01  0.313358D+00 -0.195906D+01
      2  -0.419216D+00  0.105901D+01  0.313358D+00  0.906578D+00 -0.578636D+00
      3   0.105901D+01 -0.841074D+00 -0.195906D+01 -0.578636D+00  0.301850D+01
               136           137           138           139           140 
      1   0.370887D+01 -0.223892D+01  0.245205D+01 -0.269252D+01  0.239767D+01
      2  -0.223892D+01  0.237125D+01 -0.131314D+01  0.239767D+01 -0.306939D+01
      3   0.245205D+01 -0.131314D+01  0.238860D+01 -0.145181D+01  0.217687D+01
               141           142           143           144           145 
      1  -0.145181D+01  0.159599D+01 -0.922425D+00  0.155696D+01  0.646839D-01
      2   0.217687D+01 -0.922425D+00  0.150209D+01 -0.155010D+01 -0.283550D+00
      3  -0.254900D+01  0.155696D+01 -0.155010D+01  0.222455D+01 -0.663065D+00
               146           147           148           149           150 
      1  -0.283550D+00 -0.663065D+00 -0.729240D+00  0.674766D+00  0.180939D+00
      2   0.202664D+00 -0.193647D-01  0.674766D+00 -0.381434D+00 -0.109206D+01
      3  -0.193647D-01 -0.258178D+00  0.180939D+00 -0.109206D+01 -0.136941D+01
               151           152           153           154           155 
      1  -0.185912D+01  0.225601D+00  0.163552D+01  0.177641D+01  0.138878D+01
      2   0.225601D+00 -0.136494D+01 -0.115181D+01  0.138878D+01  0.178136D+01
      3   0.163552D+01 -0.115181D+01 -0.922131D+01  0.250023D+00 -0.152689D+00
               156           157           158           159           160 
      1   0.250023D+00  0.319732D+01  0.217493D+01 -0.458693D+00  0.912806D+00
      2  -0.152689D+00  0.217493D+01  0.545294D+01  0.293146D-01  0.428290D-01
      3   0.349464D+00 -0.458693D+00  0.293146D-01  0.130282D+01  0.454869D+00
               161           162           163           164           165 
      1   0.428290D-01  0.454869D+00  0.643016D+01 -0.279932D+01  0.973128D+00
      2   0.513529D+00  0.562921D+00 -0.279932D+01  0.232544D+01 -0.426867D+00
      3   0.562921D+00 -0.469895D+00  0.973128D+00 -0.426867D+00  0.106499D+01
               166           167           168           169           170 
      1  -0.430499D+01  0.297390D+01 -0.327736D+00  0.297813D+01 -0.954678D+00
      2   0.297390D+01 -0.256619D+01  0.551770D+00 -0.954678D+00  0.107786D+01
      3  -0.327736D+00  0.551770D+00 -0.132286D+01  0.105148D+01 -0.890709D+00
               171 
      1   0.105148D+01
      2  -0.890709D+00
      3   0.444178D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.331566D+01  0.293915D+01 -0.297644D-01  0.397422D+01  0.228541D+01
      2  -0.927155D+01  0.368692D+01  0.121141D+01  0.443167D+01 -0.643580D+01
      3  -0.581951D+01  0.610029D+01 -0.327790D+00  0.134502D+02  0.111360D+02
                 6             7             8             9            10 
      1  -0.841857D+00  0.376434D+00  0.291989D+01 -0.882743D-01  0.372164D+01
      2   0.496423D+01 -0.792722D+01  0.519407D+01  0.198030D+02  0.713005D+01
      3   0.173540D+01 -0.174998D+01  0.309509D+01 -0.472261D+01  0.137881D+01
                11            12            13            14            15 
      1  -0.649299D+00 -0.366241D+00 -0.686499D+00  0.268678D+01 -0.470742D+01
      2  -0.131254D+01  0.332613D+01 -0.415889D+01  0.265996D+01 -0.933878D+00
      3  -0.494154D+01 -0.126434D+01  0.842405D+00 -0.103078D+02 -0.235849D+01
                16            17            18            19            20 
      1  -0.131493D+01  0.170817D+01 -0.251307D+01 -0.473100D+01 -0.306882D+00
      2  -0.279617D+01  0.571543D-02 -0.491264D+01 -0.123928D+01  0.190632D+01
      3  -0.243386D-01 -0.185210D+01  0.101747D+01  0.406656D+01 -0.373474D+01
                21            22            23            24            25 
      1  -0.136174D+01  0.549032D+00  0.206415D+01  0.789425D+00 -0.875165D+00
      2   0.184566D+01  0.427732D+01 -0.153893D+01  0.140492D+01 -0.799953D+01
      3   0.136160D+01  0.147722D+01  0.107317D+01  0.725812D+00 -0.134359D+01
                26            27            28            29            30 
      1   0.472275D+01 -0.267918D+01  0.289987D+01  0.370002D+01  0.128248D+01
      2  -0.663559D+00 -0.186483D+01 -0.743055D+01 -0.245579D+01 -0.514559D+01
      3   0.728561D+00  0.184731D+00 -0.707950D+01  0.273244D+01 -0.156110D+01
                31            32            33            34            35 
      1   0.688862D+00 -0.791493D+01  0.399841D+00  0.109070D+01  0.352498D+01
      2   0.338716D+01  0.280299D+01  0.396342D+00 -0.118935D+02 -0.447208D+00
      3   0.394539D+01  0.238326D+01 -0.296654D+01 -0.764869D+01 -0.884092D+01
                36            37            38            39            40 
      1   0.689300D+01 -0.290295D+01 -0.690526D+00 -0.403532D+00 -0.186162D+00
      2   0.849254D+01  0.599118D+01  0.290460D+01  0.691775D+00 -0.219620D+01
      3  -0.202726D+01 -0.168975D+01 -0.289640D+00  0.737256D+00  0.585810D+01
                41            42            43            44            45 
      1   0.241182D+01 -0.516499D+01  0.201963D+01  0.325841D+01 -0.310410D+01
      2   0.230296D+01  0.197679D+01 -0.381620D+01  0.232564D+01  0.526212D+01
      3  -0.819693D+01 -0.183727D+01  0.273753D+01 -0.135772D+01 -0.300512D+01
                46            47            48            49            50 
      1   0.222755D+01 -0.643250D+01  0.169503D+01 -0.672807D+01 -0.627958D+01
      2  -0.993118D+01 -0.398893D+01  0.134818D+02 -0.265296D+01  0.253954D+01
      3  -0.405467D+01  0.155941D+01  0.831531D+00  0.586326D+01  0.528758D+01
                51            52            53            54            55 
      1  -0.899643D+01  0.104495D+01 -0.270213D+01  0.416810D+01 -0.674701D+00
      2   0.222481D+00  0.656242D+01  0.294320D+00  0.178374D+01  0.147954D+01
      3   0.376692D+01  0.101274D+01  0.298175D+01 -0.972635D+00  0.552934D+01
                56            57            58            59            60 
      1   0.116333D+01 -0.672017D+01  0.714776D+00 -0.449130D+01 -0.899047D+00
      2  -0.128146D+00  0.475721D+01 -0.506109D+00  0.133501D+01 -0.534702D+00
      3  -0.905048D+01  0.168791D+01  0.276394D+01  0.673052D+01 -0.208190D+01
                61            62            63            64            65 
      1  -0.539846D+01  0.854027D+01  0.555271D+01 -0.104165D+01 -0.303783D+01
      2   0.184431D+00 -0.225284D+00  0.155431D+00 -0.110750D+01  0.256196D+01
      3   0.127682D+01 -0.292459D+01  0.706126D+01  0.199437D+01 -0.947911D+01
                66            67            68            69            70 
      1   0.161694D+01  0.598037D+00  0.256016D+01 -0.350878D+01 -0.263949D+00
      2   0.956200D+01  0.616193D+00 -0.507204D+01 -0.362219D+01  0.195913D+01
      3  -0.873886D+00  0.592908D+00  0.771235D+01  0.386465D+01  0.476499D+01
                71            72            73            74            75 
      1   0.432056D+01 -0.258024D+01  0.919044D+00 -0.252192D+00  0.265884D+00
      2  -0.349541D+01 -0.128159D+02  0.860935D+00 -0.438981D+00 -0.503763D-01
      3   0.785894D+01  0.367794D+01  0.189876D+00 -0.621524D+00 -0.583078D+00
                76            77            78            79            80 
      1  -0.266300D+00  0.729457D-01  0.196550D+00 -0.225294D-01  0.378629D+01
      2  -0.137690D+01  0.259654D+00 -0.761028D-01 -0.383250D+01  0.212463D+00
      3   0.143470D+01 -0.505363D-01 -0.341205D+00  0.265756D+00 -0.129202D+00
                81            82            83            84            85 
      1   0.218822D+01 -0.127582D+01  0.122683D+00 -0.637758D+00 -0.125291D+00
      2   0.721043D+00 -0.125366D+01 -0.165468D+00  0.264421D+00 -0.330277D+00
      3  -0.155445D+00  0.383002D+01  0.163225D+01  0.930281D+00  0.613652D+01
                86            87            88            89            90 
      1  -0.177518D+00 -0.375708D+01 -0.112333D+00  0.293271D+00 -0.120204D+00
      2  -0.929140D+00 -0.116123D+01 -0.175204D+01 -0.126067D+01 -0.491341D-01
      3   0.836629D+01  0.135552D+01  0.154693D+01  0.127353D+01  0.147348D+01
                91            92            93            94            95 
      1   0.334854D+01  0.206710D+01 -0.205538D+01  0.185650D+01  0.179089D+01
      2  -0.490303D+01 -0.282787D+01  0.386571D+01 -0.224719D+01 -0.176297D+01
      3   0.256458D+01 -0.367558D+01 -0.637168D+00  0.577504D+00 -0.187034D+01
                96            97            98            99           100 
      1  -0.922663D+00 -0.162034D+01 -0.669523D+00  0.115824D+01  0.104513D+01
      2   0.145952D+01  0.264597D+01  0.164284D+01 -0.227328D+01 -0.156098D+01
      3   0.737502D-01 -0.118442D+00  0.179892D+01 -0.274958D+00 -0.365747D+01
               101           102           103           104           105 
      1  -0.163835D+01  0.334809D+01 -0.172768D+01  0.186654D+01 -0.395050D+01
      2   0.862429D+00  0.754507D-01  0.138432D+01 -0.120614D+01  0.270604D+00
      3   0.302255D+01 -0.230508D+01  0.641090D+01 -0.509274D+01  0.306874D+01
               106           107           108           109           110 
      1   0.245899D+01 -0.210222D+01  0.404436D+01 -0.874350D+00  0.812993D+00
      2  -0.226441D+01  0.982268D+00 -0.688057D+00  0.100124D+01  0.280767D+00
      3  -0.506924D+01  0.390984D+01 -0.374342D+01 -0.129490D+01 -0.289184D+00
               111           112           113           114           115 
      1   0.267205D+01  0.119886D+01 -0.268884D+01 -0.342802D+01  0.221848D+01
      2  -0.381166D+00  0.176651D+00  0.182184D+00  0.269157D+00 -0.266581D+01
      3   0.908747D+00  0.158995D+01 -0.111986D+01 -0.131526D+01  0.441693D+01
               116           117           118           119           120 
      1  -0.256546D+01 -0.118465D+02  0.202481D+01  0.356664D+01  0.725266D+00
      2   0.325243D+00  0.728729D+00 -0.321118D+00 -0.782045D+00  0.758079D+00
      3  -0.129010D+01 -0.267623D+01 -0.766571D+00 -0.334781D+01 -0.958652D+00
               121           122           123           124           125 
      1   0.271427D+01  0.124626D+02  0.168591D+01  0.120165D+01  0.393693D+01
      2  -0.285587D+01 -0.200056D+00  0.302794D+01 -0.192392D+01  0.751236D+00
      3  -0.141073D+00 -0.840069D+01 -0.216242D+01 -0.425011D+00 -0.162071D+01
               126           127           128           129           130 
      1   0.242875D+01  0.148281D+00 -0.254347D+01 -0.118355D+01 -0.721329D+00
      2   0.606444D+00  0.157012D+02  0.199275D+01 -0.613000D+01  0.182017D+01
      3  -0.180441D+01  0.382054D+01 -0.322383D+00 -0.137193D+01  0.191858D+01
               131           132           133           134           135 
      1   0.106301D+00  0.501654D+00 -0.507401D+00  0.268985D+01  0.490450D+00
      2   0.175102D+01 -0.124249D+01 -0.840283D+01 -0.131155D+01  0.629075D+01
      3   0.332735D+00 -0.122294D+01 -0.125311D+01 -0.246808D+00  0.152426D+01
               136           137           138           139           140 
      1  -0.266330D+01  0.468046D+01 -0.661302D-01  0.353123D+01 -0.474992D+01
      2  -0.373708D+01  0.214750D+01  0.127525D+01  0.367333D+01 -0.118511D+01
      3   0.370061D+00 -0.371010D+01  0.688603D+00 -0.185076D+00  0.354062D+01
               141           142           143           144           145 
      1   0.434425D+00 -0.119487D+01  0.315608D+01 -0.120406D+01 -0.664798D-01
      2  -0.187648D+01 -0.286936D+01 -0.255475D-01  0.651012D+00 -0.230518D+01
      3  -0.218537D+01 -0.181598D+00 -0.210757D+01  0.127043D+01  0.101014D+01
               146           147           148           149           150 
      1  -0.118815D-01 -0.663242D-01 -0.370015D+00  0.862580D-01 -0.564332D+00
      2  -0.302783D+00  0.471328D-01 -0.622597D+00 -0.184531D+01 -0.348740D+01
      3  -0.109232D+01  0.336310D+00 -0.413394D+00  0.392405D+00  0.239847D+01
               151           152           153           154           155 
      1   0.281090D+00  0.373437D+01 -0.253570D+01 -0.125992D+01 -0.172584D+01
      2  -0.125512D+01 -0.281143D+01 -0.228017D+02  0.199723D+01  0.814403D+00
      3   0.588997D+00  0.374278D+01  0.254309D+01 -0.429932D+01 -0.574933D+01
               156           157           158           159           160 
      1  -0.454959D+00 -0.165036D+01 -0.483779D+01 -0.195457D+01 -0.159093D+00
      2   0.194799D+01  0.119226D+01  0.242440D+01  0.417500D+01  0.428970D+00
      3   0.417877D+00 -0.343787D+01 -0.182180D+02 -0.342545D+00  0.198135D+00
               161           162           163           164           165 
      1   0.622530D+00 -0.583901D+00  0.247098D+01 -0.176361D+01  0.173982D+01
      2   0.139497D+01 -0.576911D+00  0.755030D+01 -0.376855D+01  0.598827D+01
      3  -0.171924D+01 -0.136874D+01  0.373527D+01 -0.754154D+01  0.995660D+00
               166           167           168           169           170 
      1  -0.201459D+01  0.175940D+01 -0.270328D+01  0.949273D+00 -0.376694D+00
      2  -0.401209D+01  0.391779D+01 -0.523250D+01  0.362625D+01 -0.306142D+01
      3  -0.469275D+01  0.647533D+01 -0.152556D+01  0.100518D+01 -0.330043D+01
               171 
      1   0.131859D+01
      2   0.283787D+01
      3   0.199817D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.150082D+01  0.116247D+02 -0.176427D+02  0.137177D+02 -0.235114D+02
      2  -0.602177D+01 -0.277273D+01  0.838187D+01 -0.490252D+01  0.905047D+01
      3   0.752259D+01 -0.885194D+01  0.926082D+01 -0.881513D+01  0.144609D+02
      4   0.156623D+02 -0.191285D+02  0.564983D+01 -0.266186D+02 -0.138540D+02
      5  -0.195109D+02  0.253295D+01  0.726292D+01  0.194894D+01 -0.366548D+01
      6   0.115403D+01  0.216207D+01 -0.916145D+00  0.271888D+01  0.550053D+01
                 6             7             8             9            10 
      1   0.452214D+01 -0.218088D+02  0.706608D+01  0.139140D+02 -0.812312D+01
      2   0.146585D+01  0.768879D+01  0.286371D+00  0.581660D+01 -0.917907D-01
      3  -0.598800D+01  0.141200D+02 -0.735245D+01 -0.197306D+02  0.821491D+01
      4  -0.563904D+01  0.823242D+01 -0.790336D+01  0.796623D+01 -0.288426D+01
      5   0.660810D+01  0.358004D+01  0.692022D+01  0.272234D+02  0.144101D+02
      6  -0.355834D+00  0.529745D+00 -0.612470D+00 -0.101375D+02 -0.418883D+01
                11            12            13            14            15 
      1  -0.493068D+00  0.117052D+02 -0.897390D+00  0.164090D+02  0.230849D+01
      2  -0.189244D+01 -0.755867D+01 -0.131349D+01 -0.209165D+02 -0.361471D+01
      3   0.238551D+01 -0.414649D+01  0.221088D+01  0.450752D+01  0.130622D+01
      4   0.743453D+01 -0.339645D+01  0.151452D+02  0.401616D+01  0.333872D+01
      5  -0.819168D+00 -0.279304D+01 -0.572591D+00  0.359514D+01 -0.149387D+01
      6   0.521434D+00  0.120298D+01  0.469887D+00 -0.547358D+01  0.395309D+01
                16            17            18            19            20 
      1   0.157764D+02  0.202215D+00  0.404183D+00 -0.813397D+01 -0.567734D+01
      2  -0.722998D+01 -0.126039D+01  0.148150D+01  0.122246D+02  0.204847D+01
      3  -0.854640D+01  0.105818D+01 -0.188568D+01 -0.409060D+01  0.362886D+01
      4  -0.492372D+01  0.354929D+01 -0.531064D+00 -0.327356D+01 -0.856515D+00
      5  -0.247781D+01 -0.178243D+00 -0.123620D+02 -0.384401D+01 -0.146382D+01
      6  -0.188060D+00 -0.868523D+00  0.208061D+01  0.168009D+00 -0.956674D+00
                21            22            23            24            25 
      1  -0.714838D+00  0.467034D-01 -0.193884D+00  0.101848D+01 -0.613701D+01
      2   0.172197D+01 -0.197483D+01 -0.477862D+01  0.476394D+00  0.210629D+01
      3  -0.100714D+01  0.192812D+01  0.497250D+01 -0.149487D+01  0.403073D+01
      4   0.786608D+00 -0.129239D+02 -0.197518D+01 -0.235474D+00  0.291007D+01
      5   0.178264D+01  0.211955D+01  0.661949D+00  0.193821D+01  0.183588D+01
      6  -0.235565D-01  0.953681D-01  0.341151D+01 -0.349436D+01 -0.399465D+00
                26            27            28            29            30 
      1   0.436725D+01  0.991386D+01 -0.554652D+01  0.106224D+02  0.719728D+00
      2  -0.264648D+01  0.119065D+02  0.611591D+00 -0.643881D+01 -0.478217D+01
      3  -0.172077D+01 -0.218203D+02  0.493493D+01 -0.418361D+01  0.406244D+01
      4  -0.734759D+00 -0.110718D+01  0.112699D+02 -0.812400D+01 -0.747690D+01
      5  -0.546779D+00 -0.559880D+00  0.756007D+01 -0.703592D+01 -0.107418D+02
      6   0.286372D+01  0.900931D+00 -0.379844D+01  0.620439D+00 -0.149844D+01
                31            32            33            34            35 
      1   0.175165D+02  0.540280D+01 -0.444294D+01  0.142570D+02 -0.348308D+01
      2  -0.103499D+02 -0.889897D+01  0.926710D+01 -0.853814D+01 -0.263699D+01
      3  -0.716668D+01  0.349617D+01 -0.482416D+01 -0.571890D+01  0.612007D+01
      4  -0.543172D+01 -0.175794D+01 -0.129014D+01 -0.107968D+02  0.703867D+01
      5  -0.161289D+02 -0.834534D+00 -0.202872D+01 -0.898990D+01  0.543729D+00
      6  -0.405680D+01 -0.669205D+01 -0.293672D+01 -0.208925D+01 -0.808115D+00
                36            37            38            39            40 
      1  -0.735548D+01 -0.178807D+02 -0.726992D+01  0.693603D+01 -0.790757D+01
      2   0.453925D+01  0.458477D+01  0.213530D+01 -0.380313D+01  0.410564D+01
      3   0.281624D+01  0.132959D+02  0.513462D+01 -0.313290D+01  0.380194D+01
      4   0.257285D+01 -0.145181D+02 -0.492512D+01  0.621460D+01  0.554747D+01
      5   0.141151D+02  0.697074D+01  0.377448D+01  0.628541D+01  0.788958D+01
      6  -0.562541D+01  0.523070D+01  0.256598D+01  0.120019D+01  0.530982D+01
                41            42            43            44            45 
      1  -0.175817D+02 -0.855349D+00  0.109540D+02  0.128294D+01 -0.432417D+01
      2   0.236030D+02 -0.961941D-01 -0.409242D+01  0.232593D+01 -0.302175D+01
      3  -0.602127D+01  0.951543D+00 -0.686159D+01 -0.360887D+01  0.734592D+01
      4   0.163313D+02  0.721913D+01  0.130911D+02  0.104056D+02  0.585694D+01
      5   0.762455D+01  0.776694D+01  0.105058D+02  0.875494D+01  0.133065D+02
      6   0.908760D+01  0.103787D+02  0.286049D+01  0.103684D+02  0.885982D+01
                46            47            48            49            50 
      1   0.117734D+02  0.468290D+01 -0.119049D+02  0.367515D+01 -0.608514D+01
      2   0.118559D+01 -0.744779D+00  0.245649D+01 -0.101603D+01  0.946518D+01
      3  -0.129590D+02 -0.393812D+01  0.944843D+01 -0.265912D+01 -0.338004D+01
      4   0.471239D+01 -0.129830D+02  0.786720D+01 -0.147488D+02 -0.354241D+01
      5  -0.603169D+01  0.856456D+01 -0.115074D+02  0.731429D+01 -0.187787D+02
      6   0.126000D+02 -0.123736D+02  0.162469D+00 -0.136447D+02 -0.582442D+01
                51            52            53            54            55 
      1   0.634845D+00 -0.107765D+02 -0.104367D+01 -0.616379D+01  0.109604D+02
      2  -0.513243D+00  0.191683D+01  0.174708D+00 -0.657004D+01 -0.793160D+01
      3  -0.121602D+00  0.885968D+01  0.868967D+00  0.127338D+02 -0.302884D+01
      4  -0.113194D+02  0.665095D+01 -0.782731D+01  0.183139D+01  0.426956D+01
      5   0.394715D+01 -0.112562D+02  0.206760D+01  0.106891D+02 -0.121177D+01
      6  -0.120826D+02  0.110087D+01 -0.871242D+01  0.283940D+01  0.369918D+01
                56            57            58            59            60 
      1  -0.110004D+02  0.208429D+01 -0.788121D+01 -0.639371D+01 -0.179902D+01
      2   0.166485D+02 -0.245190D+01  0.140491D+02  0.165343D+02  0.374720D+01
      3  -0.564807D+01  0.367619D+00 -0.616789D+01 -0.101406D+02 -0.194818D+01
      4  -0.846994D+00  0.235959D+01  0.733790D+01  0.161414D+02 -0.279920D+01
      5   0.186576D+01  0.225618D+01  0.507823D+00 -0.313541D+01  0.119761D+01
      6  -0.649940D+01  0.115266D+02 -0.554776D+01  0.403537D+01 -0.218653D+01
                61            62            63            64            65 
      1   0.387102D+01 -0.351983D+00  0.413331D+01  0.378243D+02 -0.958940D+01
      2  -0.337330D+01  0.338024D+01 -0.976008D+01 -0.202519D+02  0.326508D+01
      3  -0.497717D+00 -0.302825D+01  0.562677D+01 -0.175724D+02  0.632432D+01
      4   0.292931D+01 -0.201071D+01  0.978624D+01 -0.166872D+02  0.194413D+02
      5   0.443520D+01  0.339650D+01 -0.242223D+01 -0.169117D+02  0.750658D+01
      6   0.112864D+02 -0.570792D+01 -0.739049D+01  0.242723D+01 -0.222390D+01
                66            67            68            69            70 
      1  -0.941794D+01 -0.149039D+02  0.194837D+01  0.150987D+01 -0.142448D+02
      2   0.994347D+01  0.643311D+01  0.541500D+01 -0.293832D+01  0.996583D+01
      3  -0.525528D+00  0.847075D+01 -0.736337D+01  0.142845D+01  0.427895D+01
      4   0.763068D+01  0.177436D+02 -0.175647D+02 -0.855545D+01  0.617235D+01
      5   0.184352D+02  0.782645D+01 -0.865773D+01 -0.692885D+01  0.211752D+02
      6  -0.258166D+01 -0.342988D+01  0.332290D+01  0.757904D+01 -0.220961D+01
                71            72            73            74            75 
      1  -0.175852D-02  0.366043D+01  0.664170D+00  0.297089D+00  0.111906D+00
      2  -0.159593D+00 -0.146263D+02 -0.420483D+01  0.343480D+00 -0.226828D+00
      3   0.161352D+00  0.109659D+02  0.354066D+01 -0.640569D+00  0.114922D+00
      4  -0.121334D+02 -0.102714D+02  0.698999D-03  0.134893D+01 -0.667158D+00
      5  -0.852650D+01 -0.271961D+02  0.433687D-01  0.429856D-01  0.573262D+01
      6   0.707004D+01  0.481537D+01 -0.439958D+00  0.364997D-01 -0.162776D-01
                76            77            78            79            80 
      1   0.962733D+00 -0.379569D+01 -0.118914D+01  0.720390D+00  0.576819D+00
      2   0.313548D+00  0.345929D+00 -0.170485D+01  0.904341D-01 -0.236819D+01
      3  -0.127628D+01  0.344976D+01  0.289399D+01 -0.810824D+00  0.179137D+01
      4   0.228242D+01 -0.177065D+00  0.490430D-01 -0.347182D+00  0.254769D+00
      5   0.112215D+00 -0.243229D+00 -0.146335D+00  0.537643D+01  0.219546D+00
      6   0.162406D+00  0.469895D+00  0.620637D+01  0.913264D-01  0.492397D+01
                81            82            83            84            85 
      1  -0.193072D+02 -0.813235D+00 -0.342675D+01 -0.196712D+01 -0.539786D+01
      2  -0.160979D+02  0.430116D+01  0.465169D+01  0.171636D+01  0.600696D+01
      3   0.354050D+02 -0.348793D+01 -0.122494D+01  0.250764D+00 -0.609096D+00
      4   0.495874D+00  0.919520D+00  0.367686D+01  0.832083D+00  0.316299D+01
      5   0.123194D+01 -0.131866D+01  0.608183D+00  0.102646D+01  0.112629D+01
      6  -0.305876D+01  0.127945D+01  0.937406D+00  0.793905D+00  0.744441D+00
                86            87            88            89            90 
      1  -0.187682D+02 -0.133898D+01 -0.314745D+01 -0.227509D+01 -0.410820D+01
      2   0.311350D+02  0.386052D+01  0.194617D+01  0.290319D+01  0.273493D+01
      3  -0.123669D+02 -0.252154D+01  0.120128D+01 -0.628106D+00  0.137327D+01
      4  -0.874552D+01 -0.156982D+01  0.477056D+00 -0.151761D+01 -0.100435D+01
      5  -0.158513D+01 -0.303187D+01  0.224670D+01 -0.151705D+01  0.594126D+00
      6   0.531945D+01  0.564833D+01  0.141176D+01  0.713166D+01  0.274415D+01
                91            92            93            94            95 
      1   0.367106D+02  0.151491D+02 -0.244799D+01  0.577228D+01  0.453033D+01
      2  -0.131974D+02 -0.279977D+01  0.135822D+00  0.105077D+01  0.270284D+01
      3  -0.235132D+02 -0.123493D+02  0.231216D+01 -0.682305D+01 -0.723317D+01
      4   0.286984D+02  0.202740D+02 -0.110480D+01  0.127318D+02  0.126558D+02
      5   0.202546D+01  0.141419D+01  0.545991D+01  0.365726D+00  0.730206D+00
      6  -0.121224D+01  0.150988D+00  0.266142D+01  0.324607D+00  0.305055D+00
                96            97            98            99           100 
      1  -0.550085D+00 -0.101742D+02 -0.478086D+01  0.311468D+01 -0.185848D+01
      2  -0.279032D+00  0.324780D+01  0.185574D+00 -0.139083D+01  0.486003D+01
      3   0.829116D+00  0.692645D+01  0.459529D+01 -0.172385D+01 -0.300155D+01
      4  -0.659209D+00 -0.961978D+01 -0.731807D+01  0.437040D+01 -0.552897D+01
      5   0.197504D+01  0.558164D+01  0.301573D+01 -0.213778D+01  0.287575D+01
      6   0.194092D+01  0.344185D+01  0.280136D+01 -0.167228D+01 -0.560692D+01
               101           102           103           104           105 
      1   0.799382D+01 -0.370748D+01  0.574538D+01 -0.146403D+02  0.624050D+01
      2  -0.124830D+02  0.432382D+01 -0.937913D+01  0.232870D+02 -0.846693D+01
      3   0.448919D+01 -0.616334D+00  0.363375D+01 -0.864666D+01  0.222642D+01
      4   0.989303D+01 -0.469849D+01  0.911713D+01 -0.990256D+01  0.465261D+01
      5  -0.305605D+01  0.371112D+01 -0.198625D+01  0.321392D+01 -0.178406D+01
      6   0.901349D+01 -0.766604D+01  0.678742D+01 -0.137488D+02  0.102446D+02
               106           107           108           109           110 
      1  -0.456503D+01  0.942872D+01 -0.831171D+01 -0.706090D+00  0.295132D+01
      2   0.497440D+01 -0.109876D+02  0.613046D+01  0.132638D+01 -0.432064D+01
      3  -0.409371D+00  0.155889D+01  0.218125D+01 -0.620292D+00  0.136932D+01
      4  -0.621256D+01  0.623702D+01 -0.558964D+01 -0.142008D-01  0.319906D+01
      5   0.359819D+01 -0.295165D+01  0.310912D+01 -0.123570D+01 -0.327913D+00
      6  -0.745496D+01  0.140186D+02 -0.122775D+02  0.809120D+00 -0.213858D+01
               111           112           113           114           115 
      1   0.132372D+01  0.125661D+01 -0.496294D+01 -0.287764D+01  0.608684D+00
      2  -0.187459D+01 -0.185825D+01  0.764043D+01  0.428733D+01 -0.158672D+01
      3   0.550866D+00  0.601644D+00 -0.267749D+01 -0.140969D+01  0.978035D+00
      4   0.562422D+00  0.367604D+01 -0.212215D+01 -0.168322D+01  0.406397D+01
      5   0.138283D+01 -0.442095D-01 -0.402946D+00 -0.248720D+00  0.516327D+00
      6  -0.406597D+01 -0.191333D+01  0.432145D+01  0.746623D+01 -0.396979D+01
               116           117           118           119           120 
      1  -0.758247D+01 -0.672218D+01  0.368402D+01  0.271244D+01  0.157857D+01
      2   0.102521D+02  0.448408D+01 -0.357344D+01 -0.210856D+01 -0.312042D+01
      3  -0.266964D+01  0.223811D+01 -0.110575D+00 -0.603876D+00  0.154185D+01
      4  -0.228174D+01 -0.357678D+01  0.469703D+01  0.787224D+01  0.172606D+01
      5  -0.936320D+00 -0.181646D+00  0.669708D+01  0.446339D+01  0.781426D+01
      6   0.799746D+01  0.175908D+02  0.261431D+01  0.640959D+01  0.229589D+01
               121           122           123           124           125 
      1   0.478254D+01 -0.193565D+01 -0.408091D+01  0.726918D+00 -0.228020D+01
      2  -0.402136D+01  0.112785D+01 -0.531402D+01 -0.171543D+01 -0.238419D+01
      3  -0.761173D+00  0.807798D+00  0.939494D+01  0.988510D+00  0.466439D+01
      4   0.768870D+01  0.149916D+02  0.692040D+01  0.931606D+00  0.414528D+01
      5   0.806399D+01  0.108244D+02  0.100555D+02  0.545376D+01  0.480724D+01
      6   0.665688D+01  0.181800D+02  0.100950D+02  0.215047D+01  0.873214D+01
               126           127           128           129           130 
      1  -0.284576D+01 -0.915869D+01 -0.380151D+01  0.135642D+02 -0.261357D+01
      2  -0.245844D+01 -0.733651D+00  0.147426D+01  0.387102D+01  0.139486D+01
      3   0.530420D+01  0.989234D+01  0.232724D+01 -0.174352D+02  0.121871D+01
      4   0.365379D+01  0.436116D+01  0.248356D+01 -0.299541D+01  0.355684D+01
      5   0.477076D+01 -0.125696D+02 -0.266012D+01  0.564795D+01 -0.270621D+01
      6   0.518518D+01 -0.521888D+01 -0.487968D+01  0.562775D+01 -0.248739D+01
               131           132           133           134           135 
      1  -0.322961D+01  0.279364D+01  0.952053D+01  0.261276D+01 -0.124340D+02
      2   0.922814D+00 -0.423459D+00  0.205890D+01 -0.293946D+00 -0.539006D+01
      3   0.230680D+01 -0.237018D+01 -0.115794D+02 -0.231881D+01  0.178241D+02
      4   0.120940D+01  0.730685D+00 -0.215634D+01  0.392262D+00  0.163768D+01
      5   0.533775D+00  0.141079D+00  0.823677D+01  0.728334D+00 -0.463776D+01
      6  -0.255346D+01  0.612899D+01  0.316524D+01  0.571322D+01 -0.494938D+01
               136           137           138           139           140 
      1   0.115070D+02 -0.390779D+01  0.227522D+01 -0.529709D+01 -0.157291D+01
      2  -0.857497D+01  0.118199D+01 -0.658830D+01  0.186078D+01  0.416495D+01
      3  -0.293198D+01  0.272580D+01  0.431308D+01  0.343630D+01 -0.259205D+01
      4  -0.136067D+02  0.129785D+02 -0.780988D+01  0.138873D+02 -0.144944D+02
      5   0.191611D+02 -0.110517D+02  0.169112D+02 -0.129048D+02  0.128366D+02
      6  -0.102162D+02  0.109396D+02 -0.842477D+01  0.104918D+02 -0.145292D+02
               141           142           143           144           145 
      1   0.327590D+01  0.213130D+01  0.222485D+01 -0.238220D+01  0.798237D+00
      2   0.229383D+01 -0.501510D+01  0.169630D+01 -0.559854D+01 -0.237977D+01
      3  -0.556973D+01  0.288381D+01 -0.392116D+01  0.798074D+01  0.158153D+01
      4   0.910672D+01 -0.526661D+01  0.596038D+01 -0.713734D+01 -0.161443D+01
      5  -0.122140D+02  0.127158D+02 -0.814435D+01  0.125161D+02 -0.265264D+01
      6   0.130727D+02 -0.628775D+01  0.972939D+01 -0.967062D+01  0.135569D+01
               146           147           148           149           150 
      1  -0.203833D+01 -0.461996D+01 -0.315092D+01 -0.192412D+00 -0.307357D+01
      2   0.904987D+00  0.221119D+01  0.138584D+01 -0.495923D+00 -0.132273D+00
      3   0.113334D+01  0.240877D+01  0.176508D+01  0.688336D+00  0.320584D+01
      4   0.271976D+01  0.654366D+00  0.529922D+01 -0.182312D+01 -0.493418D+01
      5   0.583300D+00  0.539457D+01  0.194274D+01 -0.458260D+01 -0.591984D+01
      6   0.183567D+00  0.548049D+00 -0.148811D+01  0.329528D+01  0.779736D+01
               151           152           153           154           155 
      1  -0.763213D+01 -0.278950D+01 -0.144930D+02  0.120633D+02  0.791481D+01
      2   0.750411D+01 -0.114748D+00 -0.177563D+02 -0.340199D+01 -0.309261D+01
      3   0.128026D+00  0.290425D+01  0.322493D+02 -0.866136D+01 -0.482220D+01
      4   0.222541D+01 -0.673511D+01 -0.613579D+01  0.833853D+01  0.137843D+02
      5   0.143149D+02 -0.566283D+01 -0.427475D+02 -0.187695D-01 -0.162738D+01
      6  -0.245239D+01  0.830423D+01  0.120803D+02 -0.174000D+01 -0.256314D+01
               156           157           158           159           160 
      1   0.165376D+01  0.179475D+02  0.101547D+02 -0.950122D+00  0.545837D+01
      2  -0.419695D+00 -0.777818D+01  0.165833D+01  0.170860D+01 -0.195717D+01
      3  -0.123406D+01 -0.101693D+02 -0.118131D+02 -0.758474D+00 -0.350120D+01
      4  -0.619107D+00  0.166877D+02  0.303856D+02  0.111341D+00  0.239338D+00
      5   0.267575D+01 -0.431741D+01 -0.238299D+00  0.800173D+01  0.335050D+01
      6   0.716568D+00 -0.233584D+01 -0.696201D+01  0.225874D+01  0.114525D+01
               161           162           163           164           165 
      1   0.245081D+00 -0.379368D+00  0.450517D+02 -0.162856D+02  0.686951D+01
      2   0.381934D+00 -0.140843D+01 -0.173888D+02  0.377036D+01 -0.213585D+01
      3  -0.627015D+00  0.178780D+01 -0.276629D+02  0.125152D+02 -0.473366D+01
      4   0.267271D+01  0.311158D+01 -0.244581D+02  0.193584D+02 -0.354147D+01
      5   0.366435D+01 -0.205436D+01  0.286107D+01 -0.134053D+01  0.804851D+01
      6   0.263077D+01  0.749169D+00  0.108376D+01 -0.190609D+01 -0.154298D+01
               166           167           168           169           170 
      1  -0.236028D+02  0.126846D+02 -0.246196D+01  0.162617D+02 -0.473395D+01
      2   0.645148D+01  0.150419D+01 -0.992087D+00 -0.619083D+01 -0.500671D-01
      3   0.171513D+02 -0.141888D+02  0.345404D+01 -0.100709D+02  0.478402D+01
      4   0.238453D+02 -0.194285D+02  0.385578D+01 -0.860052D+01  0.780611D+01
      5  -0.557189D+00  0.210347D+01 -0.783507D+01  0.778738D+01 -0.531064D+01
      6  -0.155841D+01  0.508233D+00  0.307119D+01 -0.178834D+01  0.202489D+01
               171 
      1   0.382972D+01
      2  -0.287138D+01
      3  -0.958337D+00
      4  -0.592941D+01
      5   0.404245D+01
      6  -0.108995D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:42:47 2021, MaxMem=  5637144576 cpu:            9999.5 elap:            1253.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.99795 -18.94329 -14.15534 -10.19959 -10.10700
 Alpha  occ. eigenvalues --  -10.07326 -10.04813 -10.04361  -1.22713  -1.13461
 Alpha  occ. eigenvalues --   -1.01912  -0.91877  -0.83508  -0.80615  -0.73157
 Alpha  occ. eigenvalues --   -0.68061  -0.63931  -0.62266  -0.60607  -0.58156
 Alpha  occ. eigenvalues --   -0.55443  -0.53953  -0.52499  -0.52110  -0.48762
 Alpha  occ. eigenvalues --   -0.48136  -0.45025  -0.44552  -0.43603  -0.42640
 Alpha  occ. eigenvalues --   -0.39446  -0.35938
 Alpha virt. eigenvalues --    0.02829   0.03929   0.04131   0.04552   0.05966
 Alpha virt. eigenvalues --    0.06346   0.06663   0.07154   0.07619   0.07830
 Alpha virt. eigenvalues --    0.08961   0.10019   0.10716   0.11811   0.12897
 Alpha virt. eigenvalues --    0.13168   0.13574   0.14377   0.14754   0.15213
 Alpha virt. eigenvalues --    0.15378   0.16071   0.17185   0.17713   0.18402
 Alpha virt. eigenvalues --    0.18531   0.19403   0.19631   0.20151   0.20470
 Alpha virt. eigenvalues --    0.21264   0.21970   0.22851   0.23632   0.24766
 Alpha virt. eigenvalues --    0.25069   0.25867   0.26606   0.26699   0.28108
 Alpha virt. eigenvalues --    0.29074   0.29154   0.30070   0.30431   0.31864
 Alpha virt. eigenvalues --    0.32746   0.32982   0.33355   0.33627   0.33858
 Alpha virt. eigenvalues --    0.34342   0.35613   0.36359   0.38612   0.39009
 Alpha virt. eigenvalues --    0.39771   0.40257   0.41266   0.41796   0.43038
 Alpha virt. eigenvalues --    0.43329   0.43575   0.44498   0.45182   0.45426
 Alpha virt. eigenvalues --    0.46348   0.46947   0.48053   0.48260   0.49441
 Alpha virt. eigenvalues --    0.50544   0.51661   0.52132   0.52852   0.53387
 Alpha virt. eigenvalues --    0.54027   0.54450   0.55297   0.55442   0.56363
 Alpha virt. eigenvalues --    0.57341   0.57632   0.58735   0.59126   0.60382
 Alpha virt. eigenvalues --    0.61668   0.62523   0.63095   0.63230   0.64059
 Alpha virt. eigenvalues --    0.65707   0.66810   0.67482   0.68363   0.68731
 Alpha virt. eigenvalues --    0.69715   0.70811   0.71816   0.72761   0.73432
 Alpha virt. eigenvalues --    0.73708   0.74296   0.75551   0.76699   0.77988
 Alpha virt. eigenvalues --    0.78650   0.79442   0.80171   0.81930   0.83003
 Alpha virt. eigenvalues --    0.83576   0.84575   0.85418   0.86040   0.87281
 Alpha virt. eigenvalues --    0.89003   0.89450   0.90720   0.91093   0.93386
 Alpha virt. eigenvalues --    0.94247   0.94939   0.96588   0.99207   0.99822
 Alpha virt. eigenvalues --    1.00463   1.02516   1.02571   1.03681   1.06746
 Alpha virt. eigenvalues --    1.08054   1.09889   1.11696   1.12604   1.12952
 Alpha virt. eigenvalues --    1.15859   1.17052   1.18132   1.19054   1.21066
 Alpha virt. eigenvalues --    1.21950   1.23196   1.24929   1.25984   1.27620
 Alpha virt. eigenvalues --    1.31734   1.32524   1.34437   1.35881   1.37755
 Alpha virt. eigenvalues --    1.39380   1.43331   1.44781   1.46683   1.47925
 Alpha virt. eigenvalues --    1.49938   1.51673   1.52997   1.56615   1.58742
 Alpha virt. eigenvalues --    1.61729   1.62656   1.65561   1.66733   1.67622
 Alpha virt. eigenvalues --    1.68594   1.70901   1.74926   1.75301   1.76269
 Alpha virt. eigenvalues --    1.78084   1.78809   1.81891   1.83780   1.86073
 Alpha virt. eigenvalues --    1.87135   1.88788   1.89619   1.90739   1.92625
 Alpha virt. eigenvalues --    1.94189   1.96018   1.96596   1.98471   1.99956
 Alpha virt. eigenvalues --    2.01069   2.03703   2.04897   2.07600   2.10154
 Alpha virt. eigenvalues --    2.11547   2.12897   2.14938   2.15131   2.15939
 Alpha virt. eigenvalues --    2.18955   2.19738   2.21800   2.23814   2.24213
 Alpha virt. eigenvalues --    2.26498   2.27685   2.30530   2.31830   2.32677
 Alpha virt. eigenvalues --    2.34547   2.36986   2.37166   2.38973   2.42440
 Alpha virt. eigenvalues --    2.43028   2.44625   2.46749   2.50352   2.54196
 Alpha virt. eigenvalues --    2.57049   2.58443   2.60614   2.62309   2.63804
 Alpha virt. eigenvalues --    2.67530   2.68644   2.71389   2.73977   2.75520
 Alpha virt. eigenvalues --    2.78972   2.81533   2.83893   2.87291   2.91258
 Alpha virt. eigenvalues --    2.97345   2.98342   3.01504   3.03926   3.11466
 Alpha virt. eigenvalues --    3.18782   3.20770   3.35746   3.40809   3.45428
 Alpha virt. eigenvalues --    3.47923   3.49475   3.49887   3.50980   3.52234
 Alpha virt. eigenvalues --    3.55841   3.61401   3.73282   3.78742   3.91305
 Alpha virt. eigenvalues --    4.10539
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.068683  -0.150199   0.075343  -0.213794   0.023687  -0.275393
     2  C   -0.150199   8.487466  -0.837349   0.243048   0.027768  -0.108603
     3  C    0.075343  -0.837349  10.327321  -2.050560  -0.087201  -0.438186
     4  C   -0.213794   0.243048  -2.050560   7.471130  -0.070973  -0.000146
     5  O    0.023687   0.027768  -0.087201  -0.070973   8.281217   0.040550
     6  C   -0.275393  -0.108603  -0.438186  -0.000146   0.040550   4.724492
     7  N    0.022732  -0.463395  -0.613722   0.185106   0.011863   0.168286
     8  O    0.032657   0.029781   0.064078  -0.018116   0.000014   0.007097
     9  H   -0.105518   0.251741  -1.151764   0.033760  -0.034580   0.136353
    10  H   -0.006901  -1.405471   0.193388  -0.076726  -0.019808   0.158504
    11  H   -0.005505  -0.007252   0.073764  -0.102371   0.271559  -0.006220
    12  H   -0.023285   0.101375   0.152199  -0.042489   0.001211  -0.038437
    13  H    0.004395  -0.024158  -0.083258  -0.097002  -0.002416   0.016168
    14  H   -0.135658  -0.052751   0.002203   0.024116  -0.006914   0.280990
    15  H   -0.099327   0.190048  -0.199007   0.050583  -0.004674   0.221506
    16  H    0.120327   0.000623   0.036867   0.001226   0.006341   0.125087
    17  H    0.044594   0.255499  -0.141082   0.051587   0.003198  -0.006713
    18  H    0.458288  -0.130284  -0.095838   0.014447   0.000264  -0.095238
    19  H    0.114538   0.128423   0.124080  -0.048426   0.000242   0.006302
               7          8          9         10         11         12
     1  C    0.022732   0.032657  -0.105518  -0.006901  -0.005505  -0.023285
     2  C   -0.463395   0.029781   0.251741  -1.405471  -0.007252   0.101375
     3  C   -0.613722   0.064078  -1.151764   0.193388   0.073764   0.152199
     4  C    0.185106  -0.018116   0.033760  -0.076726  -0.102371  -0.042489
     5  O    0.011863   0.000014  -0.034580  -0.019808   0.271559   0.001211
     6  C    0.168286   0.007097   0.136353   0.158504  -0.006220  -0.038437
     7  N    6.904073   0.006418   0.180923   0.087184  -0.002514   0.164559
     8  O    0.006418   8.420716  -0.033666  -0.009420  -0.039439  -0.000751
     9  H    0.180923  -0.033666   2.223255  -0.007388   0.013883  -0.089449
    10  H    0.087184  -0.009420  -0.007388   2.719761   0.001900  -0.002111
    11  H   -0.002514  -0.039439   0.013883   0.001900   0.605146  -0.000290
    12  H    0.164559  -0.000751  -0.089449  -0.002111  -0.000290   0.938775
    13  H    0.337279   0.011678   0.057106   0.004835  -0.001124  -0.124020
    14  H   -0.037400  -0.010032   0.007607   0.097907  -0.000033  -0.003218
    15  H    0.048374   0.016473   0.013815  -0.009405   0.003078   0.000451
    16  H    0.001601  -0.001668   0.008368  -0.096187  -0.000210  -0.000984
    17  H    0.064086   0.000680  -0.036550  -0.084091   0.000404  -0.001849
    18  H   -0.001487   0.001928  -0.007616   0.116521   0.000502  -0.007940
    19  H   -0.015819   0.001642   0.015864  -0.086622  -0.001164   0.002835
              13         14         15         16         17         18
     1  C    0.004395  -0.135658  -0.099327   0.120327   0.044594   0.458288
     2  C   -0.024158  -0.052751   0.190048   0.000623   0.255499  -0.130284
     3  C   -0.083258   0.002203  -0.199007   0.036867  -0.141082  -0.095838
     4  C   -0.097002   0.024116   0.050583   0.001226   0.051587   0.014447
     5  O   -0.002416  -0.006914  -0.004674   0.006341   0.003198   0.000264
     6  C    0.016168   0.280990   0.221506   0.125087  -0.006713  -0.095238
     7  N    0.337279  -0.037400   0.048374   0.001601   0.064086  -0.001487
     8  O    0.011678  -0.010032   0.016473  -0.001668   0.000680   0.001928
     9  H    0.057106   0.007607   0.013815   0.008368  -0.036550  -0.007616
    10  H    0.004835   0.097907  -0.009405  -0.096187  -0.084091   0.116521
    11  H   -0.001124  -0.000033   0.003078  -0.000210   0.000404   0.000502
    12  H   -0.124020  -0.003218   0.000451  -0.000984  -0.001849  -0.007940
    13  H    0.847331   0.020802  -0.005048   0.001005   0.001996   0.005611
    14  H    0.020802   1.619411  -0.228423  -0.433842   0.000337   0.000084
    15  H   -0.005048  -0.228423   1.636333  -0.406871  -0.014074   0.001378
    16  H    0.001005  -0.433842  -0.406871   1.870711   0.021660  -0.013280
    17  H    0.001996   0.000337  -0.014074   0.021660   1.712561  -0.295632
    18  H    0.005611   0.000084   0.001378  -0.013280  -0.295632   1.566978
    19  H   -0.004664  -0.028134   0.007503   0.004170  -0.380538  -0.398348
              19
     1  C    0.114538
     2  C    0.128423
     3  C    0.124080
     4  C   -0.048426
     5  O    0.000242
     6  C    0.006302
     7  N   -0.015819
     8  O    0.001642
     9  H    0.015864
    10  H   -0.086622
    11  H   -0.001164
    12  H    0.002835
    13  H   -0.004664
    14  H   -0.028134
    15  H    0.007503
    16  H    0.004170
    17  H   -0.380538
    18  H   -0.398348
    19  H    1.730161
 Mulliken charges:
               1
     1  C    1.050336
     2  C   -0.536312
     3  C    0.648723
     4  C    0.645600
     5  O   -0.441348
     6  C    1.083603
     7  N   -0.048147
     8  O   -0.480069
     9  H   -0.476144
    10  H   -0.575870
    11  H    0.195887
    12  H   -0.026582
    13  H    0.033484
    14  H   -0.117050
    15  H   -0.222711
    16  H   -0.244943
    17  H   -0.196074
    18  H   -0.120337
    19  H   -0.172045
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.561880
     2  C   -1.112183
     3  C    0.172579
     4  C    0.645600
     5  O   -0.245461
     6  C    0.498899
     7  N   -0.041245
     8  O   -0.480069
 Electronic spatial extent (au):  <R**2>=           1050.0631
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.2653    Y=             -1.0958    Z=             -0.8270  Tot=              1.3983
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -50.8133   YY=            -48.7938   ZZ=            -50.0815
   XY=              1.5263   XZ=              3.2242   YZ=             -2.0240
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.9171   YY=              1.1024   ZZ=             -0.1853
   XY=              1.5263   XZ=              3.2242   YZ=             -2.0240
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -24.0941  YYY=              2.8674  ZZZ=             -4.3632  XYY=            -14.4798
  XXY=            -19.8938  XXZ=             -5.0439  XZZ=             -1.9358  YZZ=              3.3336
  YYZ=              1.0708  XYZ=              4.9652
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -760.7269 YYYY=           -294.8759 ZZZZ=           -269.2731 XXXY=             50.6341
 XXXZ=             23.7407 YYYX=              0.4325 YYYZ=             -1.7073 ZZZX=             -1.0924
 ZZZY=             -0.1903 XXYY=           -168.9831 XXZZ=           -186.5928 YYZZ=            -92.9785
 XXYZ=             -5.3560 YYXZ=              5.8242 ZZXY=             -1.4577
 N-N= 4.078503088607D+02 E-N=-1.754040738776D+03  KE= 3.991152612591D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:42:47 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.09422957D-01-4.00661973D-01-3.20379229D-01
 Polarizability= 8.17941946D+01 2.44033481D-02 7.23061945D+01
                -2.39603674D+00 1.78836517D+00 6.98361564D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.3495    1.3503        0.1721    0.1719
 2     -1.3495   -1.3503       -0.9865   -0.9869       -5.1931   -5.1931
 3     -0.1721   -0.1719        6.6003    6.6007        0.9872    0.9869
 4      0.9865    0.9869       -0.0000    0.0000       -0.1733   -0.1719
 5     -1.4072   -1.4076        0.1733    0.1719        1.3502    1.3503
 6     -0.9872   -0.9869       -1.3502   -1.3503       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -4.0510   -4.0510        0.5157    0.5157
 2      2.9607    2.9607       -0.0000    0.0000        0.5157    0.5157
 3      2.9607    2.9607       -4.0510   -4.0510       -0.0000    0.0000
 4     -4.0510   -4.0510       -2.9607   -2.9607      -15.5794  -15.5794
 5     -0.5157   -0.5157       19.8022   19.8022        2.9607    2.9607
 6     -4.2228   -4.2228        0.5157    0.5157        4.0510    4.0510
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0355    0.0000       -5.4245   -5.4014       -0.7180   -0.6877
 2      5.4138    5.4014        3.9674    3.9476       20.7416   20.7726
 3      0.6927    0.6877      -26.4517  -26.4030       -3.9107   -3.9476
 4     -3.9388   -3.9476        0.0024    0.0000        0.6942    0.6877
 5      5.6503    5.6304       -0.7017   -0.6877       -5.4186   -5.4014
 6      3.9425    3.9476        5.4030    5.4014        0.0076    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0066    0.0000        7.3177    7.3038       -6.2751   -6.2178
 2     -7.2857   -7.3038        8.6808    8.6104        9.3751    9.3446
 3      6.1637    6.2178       17.9746   18.0150       -8.6232   -8.6104
 4     -8.6047   -8.6104        0.0057    0.0000        6.2174    6.2178
 5    -27.3946  -27.3596       -6.1988   -6.2178        7.2452    7.3038
 6      8.6141    8.6104       -7.3172   -7.3038        0.0567    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -8.5503   -8.5656       17.5637   17.5915       11.5530   11.4825
 2    -27.5135  -27.5103       26.1811   26.1708       11.4969   11.4825
 3    -27.5115  -27.5103       17.5815   17.5915       16.6038   16.5518
 4     -8.5742   -8.5793       18.9860   18.9447       20.0124   20.0202
 5      5.0061    5.0693       34.6192   34.6622      -18.9552  -18.9447
 6    -54.7026  -54.6824       -5.0200   -5.0693        8.5446    8.5793
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.0707   -4.1717   -0.0009   -0.0008   -0.0007    4.2328
 Low frequencies ---   52.1256   82.8422  177.1609
 Diagonal vibrational polarizability:
       16.6796095      21.0953530      40.8895042
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     52.1220                82.8409               177.1609
 Red. masses --      5.5843                 3.4155                 3.3672
 Frc consts  --      0.0089                 0.0138                 0.0623
 IR Inten    --      1.1327                 0.6329                 0.1603
 RamAct Fr= 1--      0.9238                 0.4553                 0.5643
  Dep-P Fr= 1--      0.7465                 0.7494                 0.6401
  Dep-U Fr= 1--      0.8549                 0.8568                 0.7806
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0011
 Beta2  Fr= 1--      0.1316                 0.0650                 0.0734
 AlphaG Fr= 1--     -0.0005                -0.0000                 0.0004
 Gamma2 Fr= 1--     -0.1293                 0.2257                 0.2087
 Delta2 Fr= 1--     -0.1967                 0.1858                 0.0892
 Raman1 Fr= 1--       3.695                  1.821                  2.257
 ROA1   Fr= 1--     -18.708                 27.610                 22.894
 CID1   Fr= 1--      -5.063                 15.159                 10.143
 Raman2 Fr= 1--       1.579                  0.780                  0.881
 ROA2   Fr= 1--      -1.530                  3.929                  4.296
 CID2   Fr= 1--      -0.969                  5.036                  4.876
 Raman3 Fr= 1--       3.159                  1.560                  1.762
 ROA3   Fr= 1--     -18.708                 27.610                 22.894
 CID3   Fr= 1--      -5.922                 17.694                 12.995
 RC180  Fr= 1--       0.710                  0.714                  0.561
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.12  -0.01    -0.07  -0.16  -0.13    -0.04  -0.15   0.01
     2   6     0.01  -0.02  -0.10    -0.01   0.00   0.04    -0.10   0.04  -0.06
     3   6    -0.00   0.03   0.00     0.00   0.04   0.08    -0.01   0.14  -0.07
     4   6    -0.01   0.04   0.01    -0.03   0.00  -0.03     0.06   0.02  -0.00
     5   8     0.14  -0.14   0.30     0.09  -0.04  -0.02     0.19  -0.05   0.05
     6   6    -0.06  -0.23  -0.07     0.16   0.13   0.01    -0.20   0.03  -0.05
     7   7     0.03   0.01   0.06    -0.00   0.02   0.19     0.01   0.12  -0.01
     8   8    -0.13   0.21  -0.22    -0.15   0.01  -0.14     0.06  -0.10   0.09
     9   1    -0.05   0.09  -0.01     0.03   0.12   0.07    -0.03   0.18  -0.08
    10   1     0.04   0.00  -0.25    -0.11   0.01   0.17    -0.21   0.08  -0.07
    11   1     0.11  -0.09   0.26     0.04  -0.05  -0.12     0.27  -0.19   0.14
    12   1     0.01   0.05   0.11    -0.03   0.07   0.26    -0.06   0.16   0.08
    13   1     0.06  -0.02   0.08     0.02  -0.06   0.22     0.12   0.06   0.04
    14   1    -0.13  -0.25   0.10     0.33   0.11  -0.12     0.00  -0.05  -0.03
    15   1    -0.07  -0.37  -0.13     0.18   0.32   0.12    -0.28   0.25  -0.14
    16   1    -0.03  -0.25  -0.14     0.09   0.06   0.02    -0.40  -0.13   0.03
    17   1     0.06   0.31  -0.05    -0.19  -0.32  -0.09    -0.02  -0.15   0.01
    18   1     0.01   0.10   0.17    -0.00  -0.16  -0.31     0.13  -0.20   0.02
    19   1     0.02   0.05  -0.11    -0.05  -0.14  -0.11    -0.16  -0.27   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    185.3957               217.8623               256.6939
 Red. masses --      1.1142                 1.1045                 1.2139
 Frc consts  --      0.0226                 0.0309                 0.0471
 IR Inten    --     38.0562                 0.8827                 2.7907
 RamAct Fr= 1--      0.1196                 0.0363                 0.0923
  Dep-P Fr= 1--      0.5814                 0.1461                 0.7398
  Dep-U Fr= 1--      0.7353                 0.2549                 0.8504
 Alpha2 Fr= 1--      0.0004                 0.0006                 0.0000
 Beta2  Fr= 1--      0.0147                 0.0015                 0.0131
 AlphaG Fr= 1--     -0.0013                -0.0004                -0.0006
 Gamma2 Fr= 1--     -0.0951                 0.0010                -0.0449
 Delta2 Fr= 1--      0.0563                -0.0172                 0.0449
 Raman1 Fr= 1--       0.478                  0.145                  0.369
 ROA1   Fr= 1--      -7.332                 -0.451                 -2.874
 CID1   Fr= 1--     -15.329                 -3.106                 -7.784
 Raman2 Fr= 1--       0.176                  0.018                  0.157
 ROA2   Fr= 1--      -2.734                  0.163                 -1.437
 CID2   Fr= 1--     -15.548                  8.804                 -9.153
 Raman3 Fr= 1--       0.352                  0.037                  0.314
 ROA3   Fr= 1--      -7.332                 -0.451                 -2.874
 CID3   Fr= 1--     -20.848                -12.184                 -9.154
 RC180  Fr= 1--       0.471                 -0.490                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.02    -0.00  -0.04   0.01     0.04   0.02   0.03
     2   6     0.01   0.02   0.00    -0.00   0.01   0.02     0.02   0.00  -0.02
     3   6    -0.01  -0.01   0.00    -0.00   0.01   0.02     0.00  -0.02  -0.02
     4   6    -0.01  -0.01   0.01    -0.01   0.00   0.01    -0.00  -0.02  -0.02
     5   8    -0.02   0.00  -0.01     0.02   0.00  -0.02    -0.06  -0.02   0.02
     6   6     0.01  -0.00   0.01     0.03   0.01   0.02     0.02   0.03  -0.03
     7   7     0.02  -0.01  -0.07    -0.01   0.02  -0.04    -0.04  -0.02   0.04
     8   8    -0.02  -0.00  -0.00    -0.03  -0.01   0.00     0.03   0.01  -0.01
     9   1    -0.03  -0.03   0.00    -0.01  -0.02   0.02     0.01   0.01  -0.02
    10   1     0.02   0.02   0.00    -0.02   0.02   0.02     0.03  -0.00  -0.03
    11   1    -0.03   0.02  -0.03     0.01  -0.01  -0.04    -0.05   0.03   0.05
    12   1    -0.52  -0.02   0.37    -0.06  -0.01  -0.02     0.11  -0.01  -0.07
    13   1     0.65  -0.12   0.17     0.06   0.05  -0.03    -0.26  -0.03  -0.02
    14   1     0.20  -0.08   0.04    -0.15   0.08   0.02     0.46  -0.11  -0.09
    15   1    -0.02   0.16  -0.00     0.09  -0.19   0.06    -0.07   0.50  -0.05
    16   1    -0.12  -0.14   0.02     0.20   0.15  -0.03    -0.32  -0.28   0.05
    17   1     0.03   0.04   0.02    -0.14   0.44  -0.07     0.04   0.28  -0.02
    18   1     0.03   0.02   0.03     0.30  -0.18   0.41     0.15  -0.05   0.28
    19   1     0.01   0.01   0.02    -0.15  -0.43  -0.34    -0.03  -0.16  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    259.4070               293.4039               342.7100
 Red. masses --      2.2903                 2.8466                 3.2790
 Frc consts  --      0.0908                 0.1444                 0.2269
 IR Inten    --      1.8722                 5.6278                 7.9590
 RamAct Fr= 1--      0.3332                 0.2608                 1.2685
  Dep-P Fr= 1--      0.2229                 0.3759                 0.2980
  Dep-U Fr= 1--      0.3646                 0.5464                 0.4592
 Alpha2 Fr= 1--      0.0043                 0.0021                 0.0131
 Beta2  Fr= 1--      0.0202                 0.0238                 0.0971
 AlphaG Fr= 1--     -0.0063                -0.0012                -0.0004
 Gamma2 Fr= 1--     -0.1191                 0.0988                -0.0429
 Delta2 Fr= 1--     -0.0616                 0.0974                -0.1193
 Raman1 Fr= 1--       1.333                  1.043                  5.074
 ROA1   Fr= 1--     -13.405                 12.605                 -7.937
 CID1   Fr= 1--     -10.059                 12.081                 -1.564
 Raman2 Fr= 1--       0.243                  0.285                  1.165
 ROA2   Fr= 1--      -2.365                  1.592                 -0.076
 CID2   Fr= 1--      -9.735                  5.586                 -0.065
 Raman3 Fr= 1--       0.486                  0.570                  2.330
 ROA3   Fr= 1--     -13.405                 12.605                 -7.937
 CID3   Fr= 1--     -27.588                 22.108                 -3.407
 RC180  Fr= 1--      -0.271                  0.093                 -0.082
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.01   0.00    -0.13   0.14  -0.06    -0.18   0.05  -0.11
     2   6     0.02  -0.01  -0.07    -0.05  -0.05   0.02    -0.03   0.00   0.12
     3   6     0.01  -0.03  -0.06    -0.01  -0.05   0.02     0.04  -0.03  -0.01
     4   6     0.01  -0.03  -0.04    -0.02   0.00   0.02     0.10  -0.02  -0.09
     5   8    -0.09  -0.03   0.04     0.04  -0.01  -0.01     0.03  -0.02  -0.02
     6   6    -0.10   0.15  -0.08    -0.08   0.08   0.01    -0.05  -0.04   0.15
     7   7     0.01  -0.07   0.16     0.26  -0.11   0.01    -0.11  -0.01   0.02
     8   8     0.09   0.03  -0.02    -0.05  -0.05   0.02     0.22   0.08  -0.06
     9   1     0.01   0.09  -0.08    -0.04  -0.06   0.02     0.19  -0.06  -0.00
    10   1     0.06  -0.04  -0.02     0.02  -0.07   0.05    -0.04  -0.00   0.14
    11   1    -0.08   0.05   0.10     0.05  -0.07  -0.03     0.05   0.01   0.04
    12   1    -0.13   0.03   0.37     0.49   0.03  -0.06    -0.32  -0.08   0.13
    13   1     0.12  -0.29   0.24     0.26  -0.00  -0.02    -0.07  -0.13   0.06
    14   1    -0.43   0.28  -0.16     0.02   0.07  -0.09    -0.02  -0.08   0.23
    15   1    -0.08  -0.10  -0.12    -0.13   0.26  -0.02    -0.07  -0.04   0.10
    16   1     0.10   0.42   0.04    -0.19   0.05   0.13    -0.09  -0.11   0.13
    17   1     0.11   0.06  -0.01    -0.26   0.35  -0.09    -0.50   0.15  -0.11
    18   1     0.10  -0.04   0.09    -0.20   0.14   0.09    -0.17   0.05  -0.12
    19   1     0.01  -0.08   0.00    -0.03   0.12  -0.29    -0.05   0.02  -0.40
                     10                     11                     12
                      A                      A                      A
 Frequencies --    396.0426               440.6555               570.6859
 Red. masses --      2.4307                 3.7985                 1.7697
 Frc consts  --      0.2246                 0.4346                 0.3396
 IR Inten    --      1.3089                16.4141                40.2788
 RamAct Fr= 1--      0.5219                 2.2231                 1.3896
  Dep-P Fr= 1--      0.3561                 0.1812                 0.2745
  Dep-U Fr= 1--      0.5252                 0.3068                 0.4307
 Alpha2 Fr= 1--      0.0045                 0.0317                 0.0154
 Beta2  Fr= 1--      0.0457                 0.1137                 0.0998
 AlphaG Fr= 1--     -0.0140                 0.0031                -0.0007
 Gamma2 Fr= 1--      0.1581                 0.1653                -0.7519
 Delta2 Fr= 1--     -0.0326                -0.0759                 0.0669
 Raman1 Fr= 1--       2.088                  8.892                  5.559
 ROA1   Fr= 1--      14.138                 13.442                -70.044
 CID1   Fr= 1--       6.772                  1.512                -12.601
 Raman2 Fr= 1--       0.548                  1.364                  1.197
 ROA2   Fr= 1--       4.056                  4.575                -18.582
 CID2   Fr= 1--       7.399                  3.355                -15.522
 Raman3 Fr= 1--       1.097                  2.728                  2.394
 ROA3   Fr= 1--      14.138                 13.442                -70.044
 CID3   Fr= 1--      12.893                  4.928                -29.255
 RC180  Fr= 1--       0.050                 -0.386                 -0.139
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.03   0.16    -0.04   0.01   0.07     0.06   0.00  -0.03
     2   6    -0.16  -0.02  -0.00    -0.05  -0.17  -0.06     0.04   0.05   0.02
     3   6    -0.06   0.05  -0.10    -0.04  -0.12   0.04    -0.05  -0.03  -0.09
     4   6    -0.02   0.02  -0.11     0.04   0.06   0.12    -0.09   0.09  -0.06
     5   8    -0.01  -0.05   0.01     0.23   0.12  -0.07     0.03   0.06  -0.03
     6   6     0.15  -0.01  -0.03     0.00   0.04  -0.11     0.01  -0.00   0.06
     7   7     0.05   0.00   0.01    -0.14  -0.12  -0.00    -0.02  -0.10   0.01
     8   8     0.08  -0.01  -0.01    -0.00   0.13   0.05    -0.04   0.02   0.05
     9   1     0.04   0.07  -0.10    -0.18  -0.14   0.04    -0.00  -0.07  -0.08
    10   1    -0.18  -0.01   0.01    -0.02  -0.17  -0.05     0.11   0.02   0.06
    11   1     0.10  -0.13   0.21     0.15  -0.06  -0.37     0.44  -0.51   0.56
    12   1     0.07   0.11   0.09    -0.30  -0.22   0.03     0.05   0.01   0.07
    13   1     0.10  -0.08   0.05    -0.14  -0.16   0.00    -0.07  -0.22   0.03
    14   1     0.20   0.00  -0.16     0.02   0.09  -0.37     0.01  -0.04   0.19
    15   1     0.33  -0.06   0.28     0.03   0.17  -0.01    -0.01  -0.06   0.01
    16   1     0.33   0.03  -0.29     0.03   0.14   0.01    -0.02  -0.06   0.01
    17   1     0.09   0.06   0.14     0.12   0.13   0.03     0.01  -0.05  -0.02
    18   1    -0.22   0.04   0.26    -0.22   0.04   0.23     0.16  -0.02  -0.09
    19   1    -0.14   0.08   0.28     0.01   0.09   0.10     0.02  -0.06  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    609.4360               656.4943               717.4688
 Red. masses --      1.9777                 2.7922                 3.1937
 Frc consts  --      0.4328                 0.7090                 0.9686
 IR Inten    --     41.0083                26.8780                27.8350
 RamAct Fr= 1--      0.9048                 2.1823                13.3346
  Dep-P Fr= 1--      0.7378                 0.5598                 0.0185
  Dep-U Fr= 1--      0.8491                 0.7178                 0.0363
 Alpha2 Fr= 1--      0.0002                 0.0079                 0.2838
 Beta2  Fr= 1--      0.1280                 0.2611                 0.0806
 AlphaG Fr= 1--     -0.0012                -0.0236                 0.1359
 Gamma2 Fr= 1--     -0.0990                -0.3604                -0.1719
 Delta2 Fr= 1--      0.2640                 0.1138                 0.0044
 Raman1 Fr= 1--       3.619                  8.729                 53.339
 ROA1   Fr= 1--      -1.056                -30.960                -16.360
 CID1   Fr= 1--      -0.292                 -3.547                 -0.307
 Raman2 Fr= 1--       1.537                  3.133                  0.967
 ROA2   Fr= 1--      -4.488                 -9.561                 -4.161
 CID2   Fr= 1--      -2.921                 -3.052                 -4.303
 Raman3 Fr= 1--       3.073                  6.265                  1.934
 ROA3   Fr= 1--      -1.056                -30.960                -16.360
 CID3   Fr= 1--      -0.343                 -4.941                 -8.459
 RC180  Fr= 1--       0.698                  0.436                 -0.927
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.00    -0.01   0.00  -0.00    -0.10   0.01   0.05
     2   6    -0.04   0.19  -0.01     0.00  -0.01   0.02    -0.05   0.17  -0.03
     3   6    -0.09  -0.02  -0.05     0.06  -0.01  -0.19     0.07  -0.05   0.07
     4   6    -0.03  -0.04   0.05     0.05   0.11  -0.09     0.21  -0.09   0.12
     5   8     0.05  -0.06  -0.02     0.05   0.12   0.15    -0.04   0.14  -0.00
     6   6     0.01   0.01   0.02     0.01  -0.00   0.05    -0.02   0.02  -0.10
     7   7     0.02  -0.11   0.01    -0.03  -0.07   0.00     0.01  -0.09   0.00
     8   8     0.04   0.07   0.03    -0.09  -0.15   0.01    -0.03  -0.07  -0.12
     9   1    -0.16  -0.05  -0.04     0.12  -0.03  -0.18    -0.07  -0.12   0.08
    10   1     0.04   0.15   0.04     0.02  -0.02   0.06    -0.03   0.16  -0.02
    11   1    -0.26   0.12  -0.62    -0.28   0.68  -0.26     0.24   0.08   0.60
    12   1     0.22   0.06   0.01    -0.07   0.01   0.11    -0.03  -0.17  -0.04
    13   1     0.00  -0.12   0.01    -0.20  -0.34   0.02    -0.07  -0.06  -0.03
    14   1     0.06  -0.08   0.28     0.04  -0.02   0.09     0.04  -0.05   0.11
    15   1     0.04  -0.12   0.04     0.03  -0.04   0.08     0.02  -0.09  -0.06
    16   1    -0.00  -0.14  -0.23     0.02  -0.03  -0.02    -0.01  -0.10  -0.33
    17   1     0.02  -0.13   0.02    -0.06   0.02  -0.00    -0.08  -0.11   0.07
    18   1     0.25  -0.05  -0.10    -0.03   0.01  -0.00     0.10  -0.04  -0.03
    19   1    -0.17  -0.13   0.11     0.03   0.02  -0.06    -0.28  -0.11   0.17
                     16                     17                     18
                      A                      A                      A
 Frequencies --    837.6970               844.6302               911.1664
 Red. masses --      3.1109                 2.1743                 1.9172
 Frc consts  --      1.2862                 0.9139                 0.9378
 IR Inten    --      9.1368               105.1757                45.4285
 RamAct Fr= 1--      5.3076                 1.6901                 2.0242
  Dep-P Fr= 1--      0.0612                 0.4329                 0.7499
  Dep-U Fr= 1--      0.1154                 0.6042                 0.8571
 Alpha2 Fr= 1--      0.1021                 0.0111                 0.0000
 Beta2  Fr= 1--      0.1021                 0.1702                 0.2891
 AlphaG Fr= 1--     -0.0238                -0.0108                -0.0000
 Gamma2 Fr= 1--     -0.1535                 0.0191                 0.5819
 Delta2 Fr= 1--     -0.2038                 0.3600                 0.5476
 Raman1 Fr= 1--      21.230                  6.760                  8.097
 ROA1   Fr= 1--     -21.260                 13.355                 73.387
 CID1   Fr= 1--      -1.001                  1.976                  9.063
 Raman2 Fr= 1--       1.225                  2.042                  3.470
 ROA2   Fr= 1--      -2.054                 -2.421                  9.585
 CID2   Fr= 1--      -1.677                 -1.185                  2.762
 Raman3 Fr= 1--       2.449                  4.085                  6.940
 ROA3   Fr= 1--     -21.260                 13.355                 73.387
 CID3   Fr= 1--      -8.680                  3.270                 10.575
 RC180  Fr= 1--      -0.769                  0.208                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.03  -0.05     0.05   0.01  -0.04    -0.08  -0.05   0.09
     2   6    -0.04  -0.09  -0.07    -0.02  -0.02  -0.01     0.13  -0.00   0.06
     3   6    -0.10   0.06  -0.17    -0.14   0.04   0.13     0.06   0.05  -0.09
     4   6     0.14  -0.13   0.19     0.03   0.04  -0.11     0.01  -0.02   0.06
     5   8    -0.02   0.04  -0.04     0.02   0.05   0.04    -0.01  -0.01  -0.02
     6   6    -0.00   0.00   0.19     0.00  -0.01   0.02     0.04   0.01  -0.10
     7   7    -0.01   0.04   0.00    -0.11  -0.11  -0.01    -0.10  -0.04  -0.00
     8   8    -0.02   0.02  -0.07     0.06  -0.06  -0.05    -0.03   0.03   0.01
     9   1    -0.45   0.11  -0.18    -0.09   0.08   0.12     0.08   0.05  -0.09
    10   1    -0.11  -0.07  -0.00    -0.01  -0.01  -0.05     0.03   0.00   0.18
    11   1     0.07  -0.01   0.13     0.00   0.28   0.13    -0.00  -0.09  -0.04
    12   1     0.23   0.35   0.09     0.44   0.17  -0.16     0.41   0.36  -0.02
    13   1     0.05  -0.11   0.05     0.58   0.37   0.07     0.36   0.04   0.10
    14   1     0.04   0.01   0.09    -0.02   0.02  -0.06    -0.06  -0.02   0.13
    15   1     0.07   0.04   0.35    -0.01   0.05   0.02    -0.09  -0.10  -0.38
    16   1     0.06   0.04   0.15     0.01   0.05   0.12    -0.08  -0.06   0.00
    17   1     0.18   0.14  -0.09     0.14  -0.01  -0.04    -0.32   0.04   0.09
    18   1    -0.17   0.03   0.09     0.09  -0.01  -0.01    -0.26   0.01   0.05
    19   1     0.21   0.11  -0.09    -0.01  -0.02   0.04     0.14   0.07  -0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    941.0997               960.0255               978.1314
 Red. masses --      1.2075                 2.0674                 1.7240
 Frc consts  --      0.6301                 1.1227                 0.9718
 IR Inten    --      6.8293                17.1140                 6.3616
 RamAct Fr= 1--      0.4371                 4.2689                 2.0729
  Dep-P Fr= 1--      0.3252                 0.6851                 0.7054
  Dep-U Fr= 1--      0.4908                 0.8131                 0.8273
 Alpha2 Fr= 1--      0.0042                 0.0049                 0.0016
 Beta2  Fr= 1--      0.0358                 0.5785                 0.2858
 AlphaG Fr= 1--     -0.0075                -0.0092                -0.0064
 Gamma2 Fr= 1--      0.1100                -0.5279                 0.3943
 Delta2 Fr= 1--      0.1588                 0.0096                 0.2214
 Raman1 Fr= 1--       1.749                 17.076                  8.291
 ROA1   Fr= 1--      15.644                -50.368                 44.940
 CID1   Fr= 1--       8.947                 -2.950                  5.420
 Raman2 Fr= 1--       0.429                  6.942                  3.430
 ROA2   Fr= 1--       1.371                -12.745                  7.693
 CID2   Fr= 1--       3.195                 -1.836                  2.243
 Raman3 Fr= 1--       0.858                 13.885                  6.859
 ROA3   Fr= 1--      15.644                -50.368                 44.940
 CID3   Fr= 1--      18.229                 -3.628                  6.552
 RC180  Fr= 1--      -0.018                  0.626                  0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.05  -0.05     0.08  -0.03  -0.06    -0.12   0.03  -0.04
     2   6     0.01  -0.00  -0.03    -0.11   0.03  -0.01     0.02   0.02  -0.10
     3   6    -0.03  -0.02   0.03     0.20   0.04   0.02     0.11   0.03  -0.02
     4   6    -0.01   0.01  -0.03    -0.02   0.02   0.02    -0.01   0.01   0.02
     5   8     0.00   0.00   0.01    -0.02  -0.03  -0.01    -0.01  -0.02  -0.01
     6   6     0.05   0.06   0.01    -0.07   0.03   0.02     0.07  -0.04   0.10
     7   7     0.02   0.01   0.00    -0.07  -0.09  -0.01    -0.04  -0.05  -0.01
     8   8     0.01  -0.01  -0.00    -0.03   0.02   0.04    -0.02   0.02   0.02
     9   1    -0.07  -0.00   0.03     0.34   0.11   0.01     0.19   0.06  -0.02
    10   1    -0.14  -0.03   0.32    -0.41   0.13   0.01    -0.01   0.08  -0.32
    11   1     0.00   0.03   0.02    -0.01  -0.12  -0.05    -0.01  -0.08  -0.04
    12   1    -0.09  -0.08  -0.00     0.11  -0.09  -0.13     0.07  -0.00  -0.04
    13   1    -0.07   0.02  -0.02     0.19   0.08   0.02     0.08  -0.02   0.01
    14   1    -0.06  -0.02   0.48     0.11  -0.04   0.04    -0.13   0.08  -0.08
    15   1    -0.09  -0.18  -0.33     0.11  -0.03   0.34    -0.08   0.13  -0.12
    16   1    -0.14  -0.14  -0.01     0.06  -0.04  -0.35    -0.00   0.14   0.53
    17   1     0.39   0.19  -0.12     0.18   0.18  -0.11     0.28  -0.06  -0.04
    18   1    -0.29  -0.01   0.30    -0.20   0.04   0.09     0.09  -0.05   0.11
    19   1    -0.00   0.11   0.15     0.26   0.16  -0.10    -0.42  -0.11   0.32
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1076.0223              1096.4324              1130.8188
 Red. masses --      1.5858                 1.6217                 2.9467
 Frc consts  --      1.0818                 1.1487                 2.2201
 IR Inten    --     18.4083                 9.0902               255.0668
 RamAct Fr= 1--      3.6105                 4.2826                 1.4340
  Dep-P Fr= 1--      0.3724                 0.5413                 0.5637
  Dep-U Fr= 1--      0.5427                 0.7024                 0.7210
 Alpha2 Fr= 1--      0.0294                 0.0172                 0.0051
 Beta2  Fr= 1--      0.3266                 0.5013                 0.1723
 AlphaG Fr= 1--     -0.0114                -0.0091                -0.0132
 Gamma2 Fr= 1--      0.4939                -0.9317                 0.1559
 Delta2 Fr= 1--      0.3500                -0.5308                -0.2314
 Raman1 Fr= 1--      14.442                 17.130                  5.736
 ROA1   Fr= 1--      58.612               -106.427                  7.562
 CID1   Fr= 1--       4.058                 -6.213                  1.318
 Raman2 Fr= 1--       3.919                  6.016                  2.068
 ROA2   Fr= 1--       9.053                -18.115                  5.593
 CID2   Fr= 1--       2.310                 -3.011                  2.705
 Raman3 Fr= 1--       7.838                 12.032                  4.136
 ROA3   Fr= 1--      58.612               -106.427                  7.562
 CID3   Fr= 1--       7.478                 -8.846                  1.829
 RC180  Fr= 1--       0.085                  0.405                  0.442
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.05  -0.01    -0.02  -0.04   0.09    -0.00  -0.05   0.02
     2   6     0.03  -0.09  -0.07     0.07   0.01  -0.13     0.00   0.07  -0.05
     3   6     0.06  -0.10  -0.03    -0.01   0.08   0.03    -0.00  -0.07  -0.01
     4   6    -0.01   0.01  -0.00    -0.01   0.02  -0.02    -0.15  -0.21  -0.04
     5   8     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.02   0.21   0.12
     6   6    -0.05   0.08   0.04     0.01   0.03   0.06     0.01  -0.02   0.02
     7   7    -0.04   0.07   0.03     0.03  -0.09  -0.00     0.02   0.04   0.02
     8   8    -0.01   0.00   0.01     0.01  -0.00   0.00     0.06  -0.04  -0.06
     9   1    -0.02   0.18  -0.07    -0.33   0.49  -0.03     0.27   0.16  -0.04
    10   1     0.43  -0.25   0.09     0.07   0.03  -0.22    -0.01   0.08  -0.13
    11   1     0.01  -0.05  -0.02    -0.00   0.06   0.04     0.01  -0.63  -0.43
    12   1     0.08   0.01  -0.11    -0.22  -0.42  -0.12    -0.00  -0.04  -0.05
    13   1     0.23   0.31   0.05    -0.08   0.12  -0.08     0.09   0.20   0.00
    14   1     0.16  -0.06   0.26     0.03  -0.00   0.17    -0.03   0.02  -0.04
    15   1     0.09  -0.12   0.23     0.02  -0.02   0.06    -0.01   0.06   0.01
    16   1    -0.00  -0.12  -0.38     0.00  -0.01   0.00     0.03   0.04   0.09
    17   1     0.02  -0.12   0.02    -0.36   0.01   0.10    -0.08   0.08   0.00
    18   1     0.18  -0.03  -0.03    -0.18   0.02  -0.06    -0.19   0.01   0.03
    19   1    -0.26  -0.13   0.12     0.18   0.03  -0.18     0.14   0.06  -0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1169.7343              1210.9398              1241.3933
 Red. masses --      1.8268                 1.9872                 1.8436
 Frc consts  --      1.4727                 1.7169                 1.6739
 IR Inten    --      3.4251                 0.3525                 9.5964
 RamAct Fr= 1--      3.3373                 1.9132                 1.1090
  Dep-P Fr= 1--      0.5163                 0.5254                 0.6112
  Dep-U Fr= 1--      0.6810                 0.6888                 0.7587
 Alpha2 Fr= 1--      0.0152                 0.0083                 0.0028
 Beta2  Fr= 1--      0.3788                 0.2197                 0.1402
 AlphaG Fr= 1--     -0.0224                 0.0025                -0.0036
 Gamma2 Fr= 1--      0.2298                -0.3606                -0.1132
 Delta2 Fr= 1--      0.0027                 0.3482                 0.1203
 Raman1 Fr= 1--      13.349                  7.653                  4.436
 ROA1   Fr= 1--      22.152                -23.471                 -7.015
 CID1   Fr= 1--       1.659                 -3.067                 -1.581
 Raman2 Fr= 1--       4.546                  2.636                  1.683
 ROA2   Fr= 1--       5.495                -11.439                 -3.678
 CID2   Fr= 1--       1.209                 -4.340                 -2.185
 Raman3 Fr= 1--       9.091                  5.272                  3.366
 ROA3   Fr= 1--      22.152                -23.471                 -7.015
 CID3   Fr= 1--       2.437                 -4.452                 -2.084
 RC180  Fr= 1--       0.362                  0.378                  0.517
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09  -0.02    -0.08  -0.05  -0.08    -0.02   0.04   0.01
     2   6    -0.10  -0.10   0.10     0.17   0.04   0.10     0.04  -0.12  -0.03
     3   6    -0.01   0.12  -0.05    -0.05   0.11  -0.01     0.02   0.15   0.11
     4   6     0.01  -0.06   0.05    -0.01  -0.03   0.00    -0.02  -0.02  -0.02
     5   8    -0.01   0.03   0.01    -0.00   0.01   0.00    -0.02   0.03   0.03
     6   6     0.05   0.00  -0.05    -0.11  -0.05  -0.03    -0.02   0.08   0.00
     7   7     0.01  -0.07  -0.00     0.02  -0.05  -0.02    -0.00  -0.03  -0.08
     8   8    -0.00   0.01  -0.01     0.00   0.00  -0.00     0.02  -0.02  -0.02
     9   1     0.22   0.50  -0.10     0.01   0.26  -0.02     0.01  -0.25   0.17
    10   1    -0.03  -0.16   0.33     0.32  -0.03   0.22    -0.06  -0.04  -0.24
    11   1    -0.01  -0.11  -0.07    -0.00  -0.03  -0.02    -0.02  -0.28  -0.18
    12   1    -0.16  -0.32  -0.11    -0.09  -0.12   0.00     0.09   0.32   0.18
    13   1    -0.01   0.14  -0.06    -0.08  -0.05  -0.05    -0.20  -0.52  -0.01
    14   1    -0.09   0.01   0.09     0.15  -0.05  -0.35     0.11  -0.03   0.25
    15   1    -0.05  -0.06  -0.25     0.07   0.08   0.31     0.05  -0.15   0.06
    16   1    -0.10  -0.07   0.09     0.15   0.09  -0.23    -0.06  -0.08  -0.20
    17   1     0.05  -0.13   0.02     0.32   0.09  -0.12    -0.02  -0.11   0.03
    18   1     0.36   0.00  -0.14    -0.15  -0.06   0.29     0.13  -0.01  -0.03
    19   1    -0.12  -0.10   0.01    -0.13   0.08   0.24    -0.11  -0.07   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1277.7713              1340.2608              1368.8257
 Red. masses --      1.2840                 1.7933                 1.3765
 Frc consts  --      1.2352                 1.8980                 1.5196
 IR Inten    --      1.0357                26.3123                 2.4516
 RamAct Fr= 1--      7.5775                 3.2699                 4.3492
  Dep-P Fr= 1--      0.6175                 0.6079                 0.5834
  Dep-U Fr= 1--      0.7635                 0.7561                 0.7369
 Alpha2 Fr= 1--      0.0184                 0.0086                 0.0136
 Beta2  Fr= 1--      0.9643                 0.4121                 0.5341
 AlphaG Fr= 1--     -0.0032                 0.0126                 0.0548
 Gamma2 Fr= 1--     -1.7317                 1.2818                 0.0803
 Delta2 Fr= 1--     -1.0124                -0.4673                -0.0668
 Raman1 Fr= 1--      30.310                 13.080                 17.397
 ROA1   Fr= 1--    -198.641                108.102                  5.568
 CID1   Fr= 1--      -6.554                  8.265                  0.320
 Raman2 Fr= 1--      11.571                  4.945                  6.410
 ROA2   Fr= 1--     -33.463                 34.502                  2.461
 CID2   Fr= 1--      -2.892                  6.977                  0.384
 Raman3 Fr= 1--      23.143                  9.890                 12.819
 ROA3   Fr= 1--    -198.641                108.102                  5.568
 CID3   Fr= 1--      -8.583                 10.930                  0.434
 RC180  Fr= 1--       0.527                  0.512                  0.474
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.01     0.01   0.02   0.01     0.01  -0.06   0.00
     2   6     0.01  -0.01  -0.03    -0.01   0.00  -0.04    -0.14   0.05  -0.01
     3   6    -0.10   0.02  -0.01     0.09  -0.02   0.05     0.04   0.04   0.04
     4   6    -0.01  -0.07   0.03    -0.14  -0.15  -0.04     0.01   0.02   0.00
     5   8     0.03  -0.01  -0.03     0.06   0.02  -0.02    -0.01  -0.01   0.00
     6   6    -0.00   0.04   0.01    -0.00  -0.03   0.00     0.03  -0.02  -0.01
     7   7     0.01  -0.00   0.00    -0.01   0.01  -0.05    -0.01  -0.01  -0.03
     8   8    -0.02   0.04   0.02     0.00   0.04   0.03     0.00  -0.01  -0.00
     9   1     0.79  -0.08   0.02    -0.23   0.33  -0.00    -0.02   0.02   0.05
    10   1     0.17  -0.01  -0.29    -0.07  -0.06   0.38     0.86  -0.26   0.01
    11   1     0.03   0.37   0.22     0.06   0.55   0.35    -0.01  -0.08  -0.05
    12   1    -0.04  -0.03   0.01     0.10   0.25   0.09     0.05   0.10   0.03
    13   1    -0.02   0.04  -0.02    -0.07  -0.30   0.01    -0.03  -0.17   0.01
    14   1     0.03  -0.01   0.14    -0.03   0.00  -0.07    -0.12   0.03   0.02
    15   1     0.03  -0.05   0.03    -0.01   0.05   0.01    -0.01   0.07  -0.04
    16   1    -0.03  -0.03  -0.05     0.03   0.02   0.03    -0.04  -0.02   0.09
    17   1    -0.01   0.02  -0.00    -0.05  -0.03   0.02     0.04   0.16  -0.05
    18   1    -0.08  -0.00   0.01     0.03   0.02  -0.04    -0.10  -0.01  -0.04
    19   1     0.05   0.01  -0.04    -0.05  -0.05   0.00     0.15   0.09  -0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1376.7611              1402.9148              1416.8904
 Red. masses --      1.4342                 1.2664                 1.3358
 Frc consts  --      1.6017                 1.4686                 1.5800
 IR Inten    --      3.9149                 8.1929                 0.1693
 RamAct Fr= 1--      2.4026                 0.1378                 2.0938
  Dep-P Fr= 1--      0.7380                 0.7361                 0.5436
  Dep-U Fr= 1--      0.8492                 0.8480                 0.7043
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0083
 Beta2  Fr= 1--      0.3401                 0.0195                 0.2458
 AlphaG Fr= 1--     -0.0016                -0.0003                 0.0210
 Gamma2 Fr= 1--     -1.1005                -0.1083                 0.5633
 Delta2 Fr= 1--      0.2711                 0.0150                 0.0735
 Raman1 Fr= 1--       9.611                  0.551                  8.375
 ROA1   Fr= 1--     -96.978                 -9.917                 56.428
 CID1   Fr= 1--     -10.091                -17.992                  6.737
 Raman2 Fr= 1--       4.081                  0.234                  2.950
 ROA2   Fr= 1--     -28.582                 -2.718                 12.931
 CID2   Fr= 1--      -7.004                -11.632                  4.384
 Raman3 Fr= 1--       8.162                  0.467                  5.899
 ROA3   Fr= 1--     -96.978                 -9.917                 56.428
 CID3   Fr= 1--     -11.882                -21.217                  9.566
 RC180  Fr= 1--       0.698                  0.696                  0.409
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.03    -0.10  -0.01   0.06     0.05   0.00  -0.02
     2   6     0.02   0.02  -0.15     0.02   0.00  -0.05    -0.00   0.01  -0.00
     3   6    -0.04   0.02   0.03    -0.01   0.01   0.01    -0.04  -0.08   0.04
     4   6     0.04   0.05   0.01     0.00   0.00  -0.00     0.05   0.05   0.02
     5   8    -0.02  -0.01   0.00    -0.00  -0.00   0.00    -0.02  -0.01   0.00
     6   6    -0.02  -0.05  -0.00     0.00  -0.00   0.08     0.02   0.01   0.08
     7   7     0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.01  -0.05
     8   8    -0.00  -0.01  -0.01    -0.00   0.00   0.00    -0.01  -0.01  -0.00
     9   1     0.36  -0.14   0.06     0.06  -0.09   0.02     0.23   0.54  -0.03
    10   1    -0.06  -0.13   0.75    -0.03  -0.03   0.17    -0.06   0.04  -0.04
    11   1    -0.02  -0.15  -0.09    -0.00  -0.01  -0.00    -0.01  -0.12  -0.07
    12   1     0.00   0.02   0.01    -0.00  -0.00   0.00     0.05   0.23   0.12
    13   1    -0.03  -0.06  -0.00     0.00   0.01  -0.00    -0.09  -0.18  -0.03
    14   1     0.01  -0.06   0.02     0.02   0.08  -0.30    -0.04   0.13  -0.35
    15   1     0.05   0.13   0.20    -0.15  -0.04  -0.23    -0.16  -0.08  -0.29
    16   1     0.08   0.14   0.17     0.07  -0.10  -0.26     0.01  -0.18  -0.30
    17   1    -0.16  -0.04   0.05     0.41   0.11  -0.01    -0.17  -0.03   0.01
    18   1    -0.09   0.07  -0.08     0.41  -0.12  -0.28    -0.18   0.06   0.08
    19   1    -0.08  -0.13  -0.04     0.31   0.21  -0.31    -0.12  -0.10   0.10
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.1330              1488.0580              1497.4319
 Red. masses --      1.3186                 1.0412                 1.0499
 Frc consts  --      1.5846                 1.3584                 1.3871
 IR Inten    --     10.9243                 1.4656                 2.2556
 RamAct Fr= 1--      1.1551                 7.0625                 2.1672
  Dep-P Fr= 1--      0.6885                 0.7499                 0.7358
  Dep-U Fr= 1--      0.8155                 0.8571                 0.8478
 Alpha2 Fr= 1--      0.0012                 0.0000                 0.0005
 Beta2  Fr= 1--      0.1570                 1.0089                 0.3062
 AlphaG Fr= 1--      0.0033                -0.0005                 0.0037
 Gamma2 Fr= 1--     -0.2633                 0.1437                 0.0923
 Delta2 Fr= 1--      0.3183                -0.2978                 0.1207
 Raman1 Fr= 1--       4.620                 28.250                  8.669
 ROA1   Fr= 1--     -15.089                  4.265                 12.719
 CID1   Fr= 1--      -3.266                  0.151                  1.467
 Raman2 Fr= 1--       1.884                 12.106                  3.675
 ROA2   Fr= 1--      -8.865                  5.831                  1.249
 CID2   Fr= 1--      -4.705                  0.482                  0.340
 Raman3 Fr= 1--       3.768                 24.213                  7.349
 ROA3   Fr= 1--     -15.089                  4.265                 12.719
 CID3   Fr= 1--      -4.005                  0.176                  1.731
 RC180  Fr= 1--       0.631                  0.714                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.01   0.02     0.01  -0.04  -0.01    -0.01   0.00  -0.04
     2   6     0.01   0.01   0.02     0.01  -0.00  -0.02     0.00  -0.01  -0.03
     3   6    -0.03  -0.09   0.03    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.03   0.04   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   8    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.01  -0.01  -0.09     0.00   0.03  -0.00     0.02  -0.02   0.01
     7   7     0.00   0.01  -0.04     0.00   0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1     0.12   0.52  -0.04     0.02  -0.03   0.00     0.03  -0.04   0.01
    10   1    -0.11   0.07  -0.09    -0.05  -0.01   0.08    -0.03  -0.02   0.03
    11   1    -0.01  -0.07  -0.04     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   1     0.06   0.20   0.09    -0.00  -0.01  -0.01    -0.00   0.01   0.01
    13   1    -0.08  -0.16  -0.02     0.01   0.01   0.00    -0.00   0.02  -0.00
    14   1     0.01  -0.11   0.33     0.10   0.04  -0.23    -0.35   0.09   0.12
    15   1     0.17   0.05   0.29     0.13  -0.39   0.11    -0.02   0.36   0.05
    16   1    -0.06   0.15   0.30    -0.26  -0.14   0.19     0.04  -0.10  -0.20
    17   1     0.22   0.06  -0.02    -0.30   0.42  -0.07    -0.32  -0.18   0.03
    18   1     0.26  -0.09  -0.09     0.23  -0.07  -0.17     0.33  -0.16   0.41
    19   1     0.18   0.17  -0.12    -0.00   0.26   0.44     0.20   0.38   0.20
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.6994              1516.2041              1674.8605
 Red. masses --      1.0433                 1.0564                 1.0875
 Frc consts  --      1.3954                 1.4308                 1.7974
 IR Inten    --      8.9641                 6.9553                32.7693
 RamAct Fr= 1--      2.7652                 3.1735                 2.2939
  Dep-P Fr= 1--      0.7433                 0.7482                 0.5449
  Dep-U Fr= 1--      0.8527                 0.8560                 0.7054
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0090
 Beta2  Fr= 1--      0.3930                 0.4527                 0.2697
 AlphaG Fr= 1--      0.0020                -0.0001                -0.0042
 Gamma2 Fr= 1--     -0.3776                -0.4043                -0.3018
 Delta2 Fr= 1--      0.2780                -0.1412                 0.1169
 Raman1 Fr= 1--      11.061                 12.694                  9.175
 ROA1   Fr= 1--     -27.354                -43.336                -25.236
 CID1   Fr= 1--      -2.473                 -3.414                 -2.750
 Raman2 Fr= 1--       4.716                  5.433                  3.236
 ROA2   Fr= 1--     -11.286                 -8.575                 -8.180
 CID2   Fr= 1--      -2.393                 -1.578                 -2.528
 Raman3 Fr= 1--       9.432                 10.866                  6.472
 ROA3   Fr= 1--     -27.354                -43.336                -25.236
 CID3   Fr= 1--      -2.900                 -3.988                 -3.899
 RC180  Fr= 1--       0.705                  0.712                  0.411
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.00   0.01  -0.03    -0.00   0.00   0.00
     2   6    -0.01  -0.03   0.01    -0.04   0.02  -0.02    -0.01  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.01   0.00     0.03   0.00  -0.01
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.03  -0.03   0.01    -0.03   0.01   0.01    -0.00   0.00  -0.00
     7   7    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.02  -0.07  -0.01
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1     0.01   0.03  -0.00     0.01   0.01   0.00    -0.03  -0.04  -0.00
    10   1    -0.03  -0.01  -0.06     0.07  -0.02   0.03     0.03  -0.02   0.02
    11   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.01   0.00  -0.01     0.01  -0.01  -0.03    -0.16   0.40   0.53
    13   1    -0.01  -0.02   0.00     0.01  -0.04   0.01    -0.27   0.62  -0.25
    14   1     0.23  -0.16   0.26     0.52  -0.16  -0.08     0.04  -0.02   0.01
    15   1    -0.22   0.27  -0.28    -0.08  -0.35  -0.22    -0.00  -0.02  -0.01
    16   1     0.43   0.35  -0.14     0.12   0.26   0.21     0.01   0.03   0.02
    17   1    -0.14   0.36  -0.06    -0.11  -0.34   0.06    -0.00  -0.00   0.00
    18   1     0.08  -0.00  -0.25     0.12  -0.08   0.41     0.00  -0.00   0.00
    19   1    -0.07   0.07   0.28     0.17   0.17  -0.08     0.00   0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1804.6923              3030.9745              3035.2467
 Red. masses --      9.8723                 1.0370                 1.0362
 Frc consts  --     18.9441                 5.6128                 5.6244
 IR Inten    --    274.2981                35.6448                13.5474
 RamAct Fr= 1--     14.2594                20.9191               271.0747
  Dep-P Fr= 1--      0.1826                 0.2345                 0.0079
  Dep-U Fr= 1--      0.3088                 0.3800                 0.0157
 Alpha2 Fr= 1--      0.2027                 0.2588                 5.9135
 Beta2  Fr= 1--      0.7339                 1.3248                 0.7093
 AlphaG Fr= 1--     -0.0217                 0.0007                -0.3266
 Gamma2 Fr= 1--     -0.2551                -1.4951                 0.2998
 Delta2 Fr= 1--     -0.0007                -0.8115                 0.2593
 Raman1 Fr= 1--      57.038                 83.677               1084.299
 ROA1   Fr= 1--     -24.514               -169.502                 37.078
 CID1   Fr= 1--      -0.430                 -2.026                  0.034
 Raman2 Fr= 1--       8.807                 15.897                  8.512
 ROA2   Fr= 1--      -6.117                -29.391                  5.120
 CID2   Fr= 1--      -0.695                 -1.849                  0.602
 Raman3 Fr= 1--      17.614                 31.794                 17.023
 ROA3   Fr= 1--     -24.514               -169.502                 37.078
 CID3   Fr= 1--      -1.392                 -5.331                  2.178
 RC180  Fr= 1--      -0.382                 -0.240                 -0.969
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.03  -0.00  -0.03     0.02  -0.00  -0.02
     2   6     0.01  -0.01   0.00     0.00   0.01   0.00     0.00   0.01   0.00
     3   6     0.04   0.00  -0.04    -0.00   0.00   0.00    -0.00   0.00   0.01
     4   6    -0.45   0.30   0.47     0.00   0.00   0.00    -0.00   0.00   0.00
     5   8     0.03  -0.03  -0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.02     0.00   0.01   0.04
     7   7    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   8     0.26  -0.22  -0.30     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   1     0.19   0.03  -0.02     0.00  -0.00  -0.01     0.00  -0.01  -0.06
    10   1     0.01  -0.00  -0.00    -0.05  -0.16  -0.03    -0.02  -0.07  -0.01
    11   1     0.03   0.40   0.25     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   1    -0.03  -0.00   0.02     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   1    -0.05  -0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.01   0.00   0.00     0.11   0.30   0.07    -0.16  -0.46  -0.10
    15   1    -0.02   0.03  -0.01    -0.26  -0.05   0.13     0.46   0.08  -0.24
    16   1     0.02  -0.00  -0.04     0.18  -0.18   0.09    -0.30   0.30  -0.15
    17   1     0.00   0.01  -0.00     0.05   0.10   0.55     0.03   0.06   0.35
    18   1    -0.01   0.00  -0.00    -0.10  -0.35  -0.05    -0.06  -0.21  -0.03
    19   1    -0.02  -0.01   0.02    -0.35   0.30  -0.20    -0.20   0.18  -0.11
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3039.6347              3056.3575              3089.1132
 Red. masses --      1.0816                 1.0838                 1.1015
 Frc consts  --      5.8876                 5.9651                 6.1929
 IR Inten    --      8.0484                14.3934                29.9894
 RamAct Fr= 1--     89.0544               107.9852                61.3181
  Dep-P Fr= 1--      0.2740                 0.0904                 0.7441
  Dep-U Fr= 1--      0.4302                 0.1658                 0.8533
 Alpha2 Fr= 1--      0.9858                 1.9354                 0.0061
 Beta2  Fr= 1--      6.3850                 2.9847                 8.7202
 AlphaG Fr= 1--      0.0236                -0.1115                -0.0199
 Gamma2 Fr= 1--      1.2327                -3.2870                 0.4517
 Delta2 Fr= 1--      1.8078                -3.4915                 0.8324
 Raman1 Fr= 1--     356.217                431.941                245.272
 ROA1   Fr= 1--     176.189               -427.284                 70.001
 CID1   Fr= 1--       0.495                 -0.989                  0.285
 Raman2 Fr= 1--      76.620                 35.816                104.642
 ROA2   Fr= 1--      15.123                -50.957                  4.182
 CID2   Fr= 1--       0.197                 -1.423                  0.040
 Raman3 Fr= 1--     153.240                 71.632                209.285
 ROA3   Fr= 1--     176.189               -427.284                 70.001
 CID3   Fr= 1--       1.150                 -5.965                  0.334
 RC180  Fr= 1--      -0.140                 -0.668                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00     0.01   0.00   0.00    -0.05   0.02  -0.08
     2   6    -0.02  -0.07  -0.01    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.02     0.00  -0.01  -0.08     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.01  -0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
     7   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.01  -0.03  -0.19    -0.02   0.13   0.96     0.00   0.01   0.06
    10   1     0.27   0.88   0.18     0.05   0.16   0.03     0.01   0.03   0.01
    11   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   1     0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    13   1    -0.00   0.00   0.00     0.01   0.00  -0.02     0.00   0.00  -0.00
    14   1    -0.03  -0.10  -0.02    -0.02  -0.06  -0.01     0.01   0.01   0.00
    15   1    -0.08  -0.01   0.04     0.02   0.00  -0.01    -0.10  -0.02   0.06
    16   1     0.07  -0.06   0.03     0.01  -0.01   0.00    -0.08   0.08  -0.04
    17   1     0.01   0.02   0.08    -0.00   0.00   0.00     0.04   0.13   0.66
    18   1    -0.05  -0.19  -0.03    -0.02  -0.07  -0.01     0.01   0.09  -0.01
    19   1    -0.05   0.05  -0.03    -0.05   0.04  -0.03     0.49  -0.43   0.26
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3096.5835              3097.4476              3112.4266
 Red. masses --      1.1017                 1.1013                 1.1005
 Frc consts  --      6.2241                 6.2253                 6.2812
 IR Inten    --     30.1139                20.5848                25.4108
 RamAct Fr= 1--     54.4469                45.7558                41.4889
  Dep-P Fr= 1--      0.7363                 0.5443                 0.7242
  Dep-U Fr= 1--      0.8481                 0.7049                 0.8400
 Alpha2 Fr= 1--      0.0128                 0.1806                 0.0184
 Beta2  Fr= 1--      7.6960                 5.3757                 5.8086
 AlphaG Fr= 1--      0.0518                -0.0814                -0.0534
 Gamma2 Fr= 1--     -9.5193                11.5362                -3.5317
 Delta2 Fr= 1--     -4.2124                 8.3832                -3.1127
 Raman1 Fr= 1--     217.787                183.023                165.956
 ROA1   Fr= 1--   -1048.648               1375.737               -438.653
 CID1   Fr= 1--      -4.815                  7.517                 -2.643
 Raman2 Fr= 1--      92.352                 64.508                 69.704
 ROA2   Fr= 1--    -194.764                209.803                -59.861
 CID2   Fr= 1--      -2.109                  3.252                 -0.859
 Raman3 Fr= 1--     184.704                129.016                139.407
 ROA3   Fr= 1--   -1048.648               1375.737               -438.653
 CID3   Fr= 1--      -5.677                 10.663                 -3.147
 RC180  Fr= 1--       0.696                  0.410                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.01     0.00   0.02   0.01    -0.00  -0.09  -0.02
     2   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.09  -0.01   0.01     0.01  -0.09   0.01    -0.00  -0.02   0.00
     7   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.00   0.00  -0.00    -0.00   0.00   0.01     0.00   0.00   0.02
    10   1     0.02   0.06   0.01     0.04   0.12   0.03     0.05   0.15   0.03
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    12   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    13   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.10   0.34   0.08     0.23   0.62   0.16     0.05   0.13   0.03
    15   1     0.67   0.12  -0.36     0.08  -0.01  -0.04     0.03   0.00  -0.02
    16   1     0.30  -0.33   0.18    -0.45   0.43  -0.24    -0.07   0.07  -0.04
    17   1     0.01   0.02   0.08    -0.01  -0.01  -0.10     0.02   0.03   0.25
    18   1    -0.01  -0.01  -0.01    -0.05  -0.18  -0.02     0.25   0.81   0.11
    19   1     0.09  -0.08   0.04     0.00  -0.00   0.01    -0.26   0.21  -0.15
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3496.2800              3564.7211              3720.2841
 Red. masses --      1.0496                 1.0918                 1.0641
 Frc consts  --      7.5594                 8.1745                 8.6773
 IR Inten    --      2.3051                 5.7715                56.4598
 RamAct Fr= 1--     99.4101                46.2644               131.8594
  Dep-P Fr= 1--      0.0697                 0.6057                 0.2220
  Dep-U Fr= 1--      0.1302                 0.7544                 0.3634
 Alpha2 Fr= 1--      1.8734                 0.1232                 1.6880
 Beta2  Fr= 1--      2.1580                 5.8173                 7.9857
 AlphaG Fr= 1--      0.1192                 0.1235                -0.0165
 Gamma2 Fr= 1--      0.5752                -0.0853                -2.0334
 Delta2 Fr= 1--     -0.4537                 0.9527                -0.6251
 Raman1 Fr= 1--     397.641                185.058                527.438
 ROA1   Fr= 1--      40.703                 22.301               -215.213
 CID1   Fr= 1--       0.102                  0.121                 -0.408
 Raman2 Fr= 1--      25.896                 69.808                 95.828
 ROA2   Fr= 1--      17.434                 -9.668                -43.802
 CID2   Fr= 1--       0.673                 -0.139                 -0.457
 Raman3 Fr= 1--      51.793                139.616                191.656
 ROA3   Fr= 1--      40.703                 22.301               -215.213
 CID3   Fr= 1--       0.786                  0.160                 -1.123
 RC180  Fr= 1--      -0.740                  0.509                 -0.273
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.05  -0.02   0.02
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   7     0.03  -0.04  -0.02    -0.01   0.02  -0.08    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.00   0.00   0.01     0.00   0.00   0.02     0.00   0.00   0.00
    10   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.89   0.25  -0.38
    12   1    -0.30   0.37  -0.42     0.40  -0.46   0.48     0.00  -0.00   0.00
    13   1    -0.20   0.17   0.73    -0.19   0.15   0.58    -0.00  -0.00   0.00
    14   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   614.082141259.071801357.05588
           X            0.99993  -0.00953   0.00661
           Y            0.00999   0.99727  -0.07313
           Z           -0.00589   0.07319   0.99730
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14105     0.06879     0.06382
 Rotational constants (GHZ):           2.93892     1.43339     1.32989
 Zero-point vibrational energy     431224.1 (Joules/Mol)
                                  103.06504 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     74.99   119.19   254.89   266.74   313.46
          (Kelvin)            369.33   373.23   422.14   493.08   569.82
                              634.00   821.09   876.84   944.55  1032.28
                             1205.26  1215.23  1310.97  1354.03  1381.26
                             1407.31  1548.16  1577.52  1627.00  1682.99
                             1742.27  1786.09  1838.43  1928.34  1969.43
                             1980.85  2018.48  2038.59  2054.76  2140.98
                             2154.47  2167.80  2181.48  2409.75  2596.55
                             4360.90  4367.04  4373.36  4397.42  4444.54
                             4455.29  4456.54  4478.09  5030.37  5128.84
                             5352.66
 
 Zero-point correction=                           0.164245 (Hartree/Particle)
 Thermal correction to Energy=                    0.173815
 Thermal correction to Enthalpy=                  0.174759
 Thermal correction to Gibbs Free Energy=         0.129854
 Sum of electronic and zero-point Energies=           -402.407378
 Sum of electronic and thermal Energies=              -402.397808
 Sum of electronic and thermal Enthalpies=            -402.396864
 Sum of electronic and thermal Free Energies=         -402.441769
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.070             34.449             94.510
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.441
 Vibrational            107.293             28.488             25.880
 Vibration     1          0.596              1.977              4.735
 Vibration     2          0.600              1.961              3.822
 Vibration     3          0.628              1.870              2.358
 Vibration     4          0.631              1.860              2.273
 Vibration     5          0.646              1.814              1.977
 Vibration     6          0.666              1.751              1.684
 Vibration     7          0.668              1.747              1.666
 Vibration     8          0.688              1.686              1.454
 Vibration     9          0.722              1.590              1.200
 Vibration    10          0.763              1.479              0.977
 Vibration    11          0.801              1.381              0.825
 Vibration    12          0.927              1.095              0.503
 Vibration    13          0.968              1.012              0.434
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.186724D-59        -59.728799       -137.530643
 Total V=0       0.658268D+16         15.818403         36.423218
 Vib (Bot)       0.102269D-72        -72.990255       -168.066272
 Vib (Bot)    1  0.396530D+01          0.598276          1.377581
 Vib (Bot)    2  0.248490D+01          0.395308          0.910231
 Vib (Bot)    3  0.113482D+01          0.054927          0.126475
 Vib (Bot)    4  0.108132D+01          0.033953          0.078180
 Vib (Bot)    5  0.908739D+00         -0.041561         -0.095697
 Vib (Bot)    6  0.757890D+00         -0.120394         -0.277218
 Vib (Bot)    7  0.748970D+00         -0.125536         -0.289057
 Vib (Bot)    8  0.650559D+00         -0.186713         -0.429923
 Vib (Bot)    9  0.540883D+00         -0.266897         -0.614553
 Vib (Bot)   10  0.451343D+00         -0.345494         -0.795529
 Vib (Bot)   11  0.392099D+00         -0.406604         -0.936241
 Vib (Bot)   12  0.269502D+00         -0.569438         -1.311180
 Vib (Bot)   13  0.242632D+00         -0.615052         -1.416210
 Vib (V=0)       0.360535D+03          2.556947          5.887589
 Vib (V=0)    1  0.449670D+01          0.652894          1.503343
 Vib (V=0)    2  0.303470D+01          0.482116          1.110113
 Vib (V=0)    3  0.174009D+01          0.240571          0.553936
 Vib (V=0)    4  0.169132D+01          0.228226          0.525510
 Vib (V=0)    5  0.153721D+01          0.186733          0.429970
 Vib (V=0)    6  0.140796D+01          0.148591          0.342144
 Vib (V=0)    7  0.140053D+01          0.146293          0.336851
 Vib (V=0)    8  0.132050D+01          0.120740          0.278014
 Vib (V=0)    9  0.123658D+01          0.092223          0.212352
 Vib (V=0)   10  0.117358D+01          0.069513          0.160059
 Vib (V=0)   11  0.113541D+01          0.055151          0.126991
 Vib (V=0)   12  0.106801D+01          0.028574          0.065794
 Vib (V=0)   13  0.105576D+01          0.023566          0.054262
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.366676D+06          5.564283         12.812235
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3 3        33333333                                         1   1  1111111111 111 1111                                    
     7     5 4        10000000                                         8   6  5544444333 222 1100 9999 88   7 6 65   4 33222211      
     2     6 9        19985433                                         0   7  1098210764 741 7397 7641 43   1 5 07   4 94955187   85 
     0     5 6        27796051                                         5   5  6778873790 811 0166 8011 58   7 6 91   1 63397857   32 
 
     X     X X        XXXXXXXX                                         X   X  XXXXXXXXXX XXX XXXX XXXX XX   X X XX   X XXXXXXXX   XX 
     X                XXXX   X                                         X   X           X      X      X X    X X XX           X       
     X                       X                                         X                      X      X X        XX           X       
     X                                                                 X                      X        X                             
                                                                       X                      X        X                             
                                                                       X                      X        X                             
                                                                       X                      X        X                             
                                                                       X                      X        X                             
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000012529    0.000000199    0.000009767
      2        6          -0.000006492   -0.000002596   -0.000000510
      3        6          -0.000003156   -0.000000198   -0.000007929
      4        6          -0.000005821    0.000007975    0.000010555
      5        8           0.000003575    0.000001431   -0.000002015
      6        6           0.000002003   -0.000004070    0.000001705
      7        7          -0.000004159   -0.000001815    0.000002841
      8        8           0.000004452   -0.000001923   -0.000005583
      9        1          -0.000000600    0.000004108   -0.000001004
     10        1           0.000002080    0.000002478    0.000000747
     11        1           0.000000929    0.000001220   -0.000001207
     12        1          -0.000001816   -0.000000670    0.000001025
     13        1          -0.000001292   -0.000002610    0.000001469
     14        1          -0.000000058   -0.000001009   -0.000002250
     15        1           0.000001314   -0.000001223   -0.000002551
     16        1           0.000000968   -0.000001639   -0.000000352
     17        1           0.000000075    0.000005138   -0.000000645
     18        1          -0.000002436   -0.000001938   -0.000001968
     19        1          -0.000002095   -0.000002856   -0.000002092
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012529 RMS     0.000003826
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.879867D+02  0.343827D+00 -0.270068D+01
      2   0.343827D+00  0.776004D+02  0.197378D+01
      3  -0.270068D+01  0.197378D+01  0.747852D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.166262D+01  0.620515D+00  0.456091D-01
      2   0.559732D+01 -0.633492D+01  0.334722D+02
      3   0.725817D+01 -0.248618D+02  0.734486D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.699124D+02 -0.250643D+02  0.437209D+01
      2  -0.392390D+02  0.239578D+02 -0.121798D+02
      3  -0.306734D+02  0.110650D+01  0.780767D+01
      4  -0.236449D+02  0.388670D+02 -0.172248D+02
      5   0.111465D+02 -0.196652D+02  0.663773D+02
      6  -0.477441D+01 -0.336024D+00 -0.605343D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.117188D+00  0.207301D+01 -0.343156D+01  0.319349D+01 -0.382856D+01
      2   0.207301D+01 -0.323481D+01  0.677346D+00 -0.382856D+01 -0.309043D+01
      3  -0.343156D+01  0.677346D+00  0.113694D+01  0.492768D+00 -0.116964D+01
                 6             7             8             9            10 
      1   0.492768D+00 -0.452956D+01  0.923818D+00  0.161194D-01  0.192763D+01
      2  -0.116964D+01  0.923818D+00 -0.128992D+01  0.150581D+01 -0.182785D+01
      3   0.171939D+01  0.161194D-01  0.150581D+01  0.675456D+01  0.367364D+01
                11            12            13            14            15 
      1  -0.182785D+01  0.367364D+01 -0.486342D+01  0.378905D+01  0.597425D-01
      2   0.376105D+01 -0.126152D+00  0.378905D+01  0.438218D+01  0.200431D+01
      3  -0.126152D+00 -0.873416D+00  0.597425D-01  0.200431D+01 -0.648049D+00
                16            17            18            19            20 
      1   0.575263D+01 -0.391411D+00 -0.371633D+00 -0.241055D+01  0.513375D+01
      2  -0.391411D+00  0.231798D+01 -0.167980D+00  0.513375D+01 -0.507541D+00
      3  -0.371633D+00 -0.167980D+00 -0.512610D+01 -0.120828D+01  0.972706D-01
                21            22            23            24            25 
      1  -0.120828D+01  0.518532D+01 -0.866455D+00  0.251579D+00 -0.321107D+01
      2   0.972706D-01 -0.866455D+00 -0.764899D+00 -0.711761D+00 -0.259699D+00
      3  -0.293423D+00  0.251579D+00 -0.711761D+00  0.157813D+01 -0.428338D+00
                26            27            28            29            30 
      1  -0.259699D+00 -0.428338D+00  0.518875D+00 -0.345533D+01 -0.732049D+00
      2  -0.173115D+01  0.114929D+01 -0.345533D+01  0.831733D+00  0.155412D+01
      3   0.114929D+01  0.597732D+01 -0.732049D+00  0.155412D+01  0.768674D+00
                31            32            33            34            35 
      1  -0.363126D+01 -0.126204D+00  0.188202D+01 -0.366224D+01  0.170053D+01
      2  -0.126204D+00 -0.550302D+00  0.554288D+00  0.170053D+01  0.753687D-01
      3   0.188202D+01  0.554288D+00 -0.126745D+01  0.146792D+01 -0.108242D+01
                36            37            38            39            40 
      1   0.146792D+01  0.541823D+01  0.174801D+01 -0.170073D+01  0.677372D+00
      2  -0.108242D+01  0.174801D+01  0.180912D+01 -0.711538D+00  0.299403D+00
      3  -0.252378D+01 -0.170073D+01 -0.711538D+00  0.421225D+00 -0.114800D+01
                41            42            43            44            45 
      1   0.299403D+00 -0.114800D+01 -0.300051D+01 -0.174680D+01 -0.908135D+00
      2  -0.411124D+01 -0.165617D+01 -0.174680D+01 -0.238745D+01 -0.167633D+01
      3  -0.165617D+01 -0.860296D+00 -0.908135D+00 -0.167633D+01 -0.261889D+01
                46            47            48            49            50 
      1   0.108051D+01  0.235567D+01 -0.441530D+01  0.255861D+01 -0.361740D+01
      2   0.235567D+01 -0.340157D+01  0.511323D+00 -0.361740D+01 -0.246928D+01
      3  -0.441530D+01  0.511323D+00  0.793493D+00  0.532538D+00 -0.297569D+01
                51            52            53            54            55 
      1   0.532538D+00 -0.379498D+01  0.289482D+00  0.671068D+00  0.196526D+01
      2  -0.297569D+01  0.289482D+00 -0.236829D+01  0.551813D+00 -0.122786D+01
      3   0.128389D+01  0.671068D+00  0.551813D+00  0.305321D+01  0.837830D+00
                56            57            58            59            60 
      1  -0.122786D+01  0.837830D+00 -0.948405D+00  0.254538D+01 -0.817484D+00
      2   0.378663D+01 -0.772555D+00  0.254538D+01  0.125785D+01  0.783119D+00
      3  -0.772555D+00  0.246368D+01 -0.817484D+00  0.783119D+00 -0.167872D+01
                61            62            63            64            65 
      1   0.112765D+01 -0.128491D+01  0.248295D+01 -0.674285D+01  0.255560D+01
      2  -0.128491D+01  0.882143D+00 -0.157695D+01  0.255560D+01 -0.248385D+01
      3   0.248295D+01 -0.157695D+01 -0.226643D+01  0.281962D+01 -0.127173D+01
                66            67            68            69            70 
      1   0.281962D+01  0.392846D+01 -0.216090D+01 -0.109554D+01  0.539511D+01
      2  -0.127173D+01 -0.216090D+01  0.430147D+01  0.171063D+01 -0.874579D+00
      3  -0.193690D+01 -0.109554D+01  0.171063D+01  0.182080D+01 -0.289547D+01
                71            72            73            74            75 
      1  -0.874579D+00 -0.289547D+01  0.469527D+00 -0.675088D+00 -0.997520D+00
      2   0.233819D+01  0.209446D+01 -0.675088D+00  0.227101D+00 -0.596025D-01
      3   0.209446D+01  0.565857D+01 -0.997520D+00 -0.596025D-01  0.133787D+00
                76            77            78            79            80 
      1  -0.130820D+01  0.267607D+00  0.553732D-02 -0.146543D+01  0.252564D-01
      2   0.267607D+00  0.105961D+00 -0.107378D+01  0.252564D-01 -0.128603D+01
      3   0.553732D-02 -0.107378D+01 -0.672016D+00  0.487803D-01 -0.254201D+00
                81            82            83            84            85 
      1   0.487803D-01 -0.145076D+01 -0.103997D+01 -0.831117D+00 -0.136812D+01
      2  -0.254201D+00 -0.103997D+01 -0.141967D+01  0.967466D-02 -0.125722D+01
      3  -0.828379D+01 -0.831117D+00  0.967466D-02 -0.284509D+00 -0.354734D-01
                86            87            88            89            90 
      1  -0.125722D+01 -0.354734D-01 -0.116976D+01 -0.461418D-01 -0.109272D+00
      2  -0.717355D+01 -0.109188D+01 -0.461418D-01 -0.108491D+01 -0.120895D+01
      3  -0.109188D+01 -0.151752D+01 -0.109272D+00 -0.120895D+01 -0.115607D+00
                91            92            93            94            95 
      1  -0.770672D+01 -0.399632D+01  0.329866D+00 -0.213869D+01 -0.190182D+01
      2  -0.399632D+01 -0.347718D+01  0.355538D-01 -0.190182D+01 -0.247813D+01
      3   0.329866D+00  0.355538D-01 -0.117101D+01  0.177054D+00  0.119161D-01
                96            97            98            99           100 
      1   0.177054D+00  0.243139D+01  0.140424D+01 -0.100094D+01 -0.104116D+01
      2   0.119161D-01  0.140424D+01  0.120807D+01 -0.614252D+00  0.172362D+01
      3  -0.589306D+00 -0.100094D+01 -0.614252D+00  0.371701D+00 -0.991795D+00
               101           102           103           104           105 
      1   0.172362D+01 -0.991795D+00  0.181043D+01 -0.211567D+01  0.103931D+01
      2  -0.258241D+01  0.130616D+01 -0.211567D+01  0.491698D+01 -0.190936D+01
      3   0.130616D+01 -0.123483D+01  0.103931D+01 -0.190936D+01  0.168428D+01
               106           107           108           109           110 
      1  -0.186590D+01  0.152006D+01 -0.137512D+01 -0.250520D+00  0.455495D+00
      2   0.152006D+01 -0.323218D+01  0.221156D+01  0.455495D+00 -0.758590D+00
      3  -0.137512D+01  0.221156D+01 -0.235787D+01  0.233875D+00 -0.468450D+00
               111           112           113           114           115 
      1   0.233875D+00  0.607192D+00 -0.347683D+00 -0.462794D+00  0.147314D+01
      2  -0.468450D+00 -0.347683D+00  0.165120D+01  0.974641D+00 -0.340926D+00
      3  -0.903850D+00 -0.462794D+00  0.974641D+00  0.120384D+01 -0.763718D+00
               116           117           118           119           120 
      1  -0.340926D+00 -0.763718D+00  0.124527D+01  0.892284D+00  0.108472D+01
      2   0.261218D+01  0.151323D+01  0.892284D+00  0.165557D+01  0.508361D+00
      3   0.151323D+01  0.431921D+01  0.108472D+01  0.508361D+00  0.976003D+00
               121           122           123           124           125 
      1   0.166068D+01  0.148525D+01  0.856719D+00  0.813870D+00  0.376399D+00
      2   0.148525D+01  0.500548D+01  0.182447D+01  0.376399D+00  0.131087D+01
      3   0.856719D+00  0.182447D+01  0.272256D+01  0.426022D+00  0.116326D+01
               126           127           128           129           130 
      1   0.426022D+00 -0.488568D+01 -0.782025D+00  0.231667D+01 -0.834023D+00
      2   0.116326D+01 -0.782025D+00 -0.886312D+00  0.622284D+00 -0.386043D+00
      3   0.116189D+01  0.231667D+01  0.622284D+00 -0.354075D+01  0.319327D+00
               131           132           133           134           135 
      1  -0.386043D+00  0.319327D+00  0.207785D+01  0.313358D+00 -0.195906D+01
      2  -0.419216D+00  0.105901D+01  0.313358D+00  0.906578D+00 -0.578636D+00
      3   0.105901D+01 -0.841074D+00 -0.195906D+01 -0.578636D+00  0.301850D+01
               136           137           138           139           140 
      1   0.370887D+01 -0.223892D+01  0.245205D+01 -0.269252D+01  0.239767D+01
      2  -0.223892D+01  0.237125D+01 -0.131314D+01  0.239767D+01 -0.306939D+01
      3   0.245205D+01 -0.131314D+01  0.238860D+01 -0.145181D+01  0.217687D+01
               141           142           143           144           145 
      1  -0.145181D+01  0.159599D+01 -0.922425D+00  0.155696D+01  0.646838D-01
      2   0.217687D+01 -0.922425D+00  0.150209D+01 -0.155010D+01 -0.283550D+00
      3  -0.254900D+01  0.155696D+01 -0.155010D+01  0.222455D+01 -0.663065D+00
               146           147           148           149           150 
      1  -0.283550D+00 -0.663065D+00 -0.729240D+00  0.674766D+00  0.180939D+00
      2   0.202664D+00 -0.193647D-01  0.674766D+00 -0.381434D+00 -0.109206D+01
      3  -0.193647D-01 -0.258178D+00  0.180939D+00 -0.109206D+01 -0.136941D+01
               151           152           153           154           155 
      1  -0.185912D+01  0.225601D+00  0.163552D+01  0.177641D+01  0.138878D+01
      2   0.225601D+00 -0.136494D+01 -0.115181D+01  0.138878D+01  0.178136D+01
      3   0.163552D+01 -0.115181D+01 -0.922131D+01  0.250023D+00 -0.152689D+00
               156           157           158           159           160 
      1   0.250023D+00  0.319732D+01  0.217493D+01 -0.458693D+00  0.912806D+00
      2  -0.152689D+00  0.217493D+01  0.545294D+01  0.293146D-01  0.428290D-01
      3   0.349464D+00 -0.458693D+00  0.293146D-01  0.130282D+01  0.454870D+00
               161           162           163           164           165 
      1   0.428290D-01  0.454870D+00  0.643016D+01 -0.279932D+01  0.973128D+00
      2   0.513529D+00  0.562921D+00 -0.279932D+01  0.232544D+01 -0.426867D+00
      3   0.562921D+00 -0.469895D+00  0.973128D+00 -0.426867D+00  0.106499D+01
               166           167           168           169           170 
      1  -0.430499D+01  0.297390D+01 -0.327736D+00  0.297813D+01 -0.954678D+00
      2   0.297390D+01 -0.256619D+01  0.551770D+00 -0.954678D+00  0.107786D+01
      3  -0.327736D+00  0.551770D+00 -0.132286D+01  0.105148D+01 -0.890709D+00
               171 
      1   0.105148D+01
      2  -0.890709D+00
      3   0.444178D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.331566D+01  0.293915D+01 -0.297644D-01  0.397422D+01  0.228541D+01
      2  -0.927155D+01  0.368692D+01  0.121141D+01  0.443167D+01 -0.643580D+01
      3  -0.581951D+01  0.610029D+01 -0.327790D+00  0.134502D+02  0.111360D+02
                 6             7             8             9            10 
      1  -0.841857D+00  0.376434D+00  0.291989D+01 -0.882739D-01  0.372164D+01
      2   0.496423D+01 -0.792722D+01  0.519407D+01  0.198030D+02  0.713005D+01
      3   0.173540D+01 -0.174998D+01  0.309509D+01 -0.472261D+01  0.137881D+01
                11            12            13            14            15 
      1  -0.649299D+00 -0.366241D+00 -0.686499D+00  0.268678D+01 -0.470742D+01
      2  -0.131254D+01  0.332613D+01 -0.415889D+01  0.265996D+01 -0.933878D+00
      3  -0.494154D+01 -0.126434D+01  0.842405D+00 -0.103078D+02 -0.235849D+01
                16            17            18            19            20 
      1  -0.131493D+01  0.170817D+01 -0.251307D+01 -0.473100D+01 -0.306882D+00
      2  -0.279617D+01  0.571544D-02 -0.491264D+01 -0.123928D+01  0.190632D+01
      3  -0.243386D-01 -0.185210D+01  0.101747D+01  0.406656D+01 -0.373474D+01
                21            22            23            24            25 
      1  -0.136174D+01  0.549032D+00  0.206415D+01  0.789425D+00 -0.875165D+00
      2   0.184566D+01  0.427732D+01 -0.153894D+01  0.140492D+01 -0.799953D+01
      3   0.136160D+01  0.147722D+01  0.107317D+01  0.725812D+00 -0.134359D+01
                26            27            28            29            30 
      1   0.472275D+01 -0.267918D+01  0.289987D+01  0.370002D+01  0.128248D+01
      2  -0.663559D+00 -0.186483D+01 -0.743055D+01 -0.245579D+01 -0.514559D+01
      3   0.728561D+00  0.184731D+00 -0.707950D+01  0.273244D+01 -0.156110D+01
                31            32            33            34            35 
      1   0.688862D+00 -0.791493D+01  0.399841D+00  0.109070D+01  0.352498D+01
      2   0.338716D+01  0.280299D+01  0.396343D+00 -0.118935D+02 -0.447208D+00
      3   0.394539D+01  0.238326D+01 -0.296654D+01 -0.764869D+01 -0.884092D+01
                36            37            38            39            40 
      1   0.689301D+01 -0.290295D+01 -0.690526D+00 -0.403532D+00 -0.186162D+00
      2   0.849254D+01  0.599118D+01  0.290460D+01  0.691775D+00 -0.219620D+01
      3  -0.202726D+01 -0.168975D+01 -0.289640D+00  0.737256D+00  0.585810D+01
                41            42            43            44            45 
      1   0.241182D+01 -0.516499D+01  0.201963D+01  0.325841D+01 -0.310410D+01
      2   0.230296D+01  0.197679D+01 -0.381620D+01  0.232564D+01  0.526212D+01
      3  -0.819693D+01 -0.183727D+01  0.273753D+01 -0.135772D+01 -0.300512D+01
                46            47            48            49            50 
      1   0.222755D+01 -0.643250D+01  0.169503D+01 -0.672807D+01 -0.627958D+01
      2  -0.993118D+01 -0.398893D+01  0.134818D+02 -0.265296D+01  0.253954D+01
      3  -0.405467D+01  0.155941D+01  0.831531D+00  0.586326D+01  0.528758D+01
                51            52            53            54            55 
      1  -0.899643D+01  0.104495D+01 -0.270213D+01  0.416810D+01 -0.674701D+00
      2   0.222481D+00  0.656242D+01  0.294319D+00  0.178374D+01  0.147954D+01
      3   0.376692D+01  0.101274D+01  0.298175D+01 -0.972635D+00  0.552934D+01
                56            57            58            59            60 
      1   0.116333D+01 -0.672017D+01  0.714776D+00 -0.449130D+01 -0.899047D+00
      2  -0.128146D+00  0.475721D+01 -0.506109D+00  0.133501D+01 -0.534702D+00
      3  -0.905048D+01  0.168791D+01  0.276394D+01  0.673052D+01 -0.208190D+01
                61            62            63            64            65 
      1  -0.539846D+01  0.854027D+01  0.555271D+01 -0.104165D+01 -0.303783D+01
      2   0.184431D+00 -0.225284D+00  0.155431D+00 -0.110750D+01  0.256196D+01
      3   0.127682D+01 -0.292459D+01  0.706126D+01  0.199437D+01 -0.947911D+01
                66            67            68            69            70 
      1   0.161694D+01  0.598037D+00  0.256016D+01 -0.350879D+01 -0.263949D+00
      2   0.956200D+01  0.616193D+00 -0.507204D+01 -0.362219D+01  0.195913D+01
      3  -0.873886D+00  0.592908D+00  0.771235D+01  0.386465D+01  0.476499D+01
                71            72            73            74            75 
      1   0.432056D+01 -0.258024D+01  0.919044D+00 -0.252192D+00  0.265884D+00
      2  -0.349541D+01 -0.128159D+02  0.860935D+00 -0.438981D+00 -0.503763D-01
      3   0.785894D+01  0.367794D+01  0.189876D+00 -0.621524D+00 -0.583078D+00
                76            77            78            79            80 
      1  -0.266300D+00  0.729457D-01  0.196550D+00 -0.225294D-01  0.378629D+01
      2  -0.137690D+01  0.259654D+00 -0.761028D-01 -0.383250D+01  0.212463D+00
      3   0.143470D+01 -0.505364D-01 -0.341205D+00  0.265756D+00 -0.129202D+00
                81            82            83            84            85 
      1   0.218822D+01 -0.127582D+01  0.122683D+00 -0.637758D+00 -0.125291D+00
      2   0.721043D+00 -0.125366D+01 -0.165468D+00  0.264421D+00 -0.330277D+00
      3  -0.155445D+00  0.383002D+01  0.163225D+01  0.930281D+00  0.613652D+01
                86            87            88            89            90 
      1  -0.177518D+00 -0.375708D+01 -0.112333D+00  0.293271D+00 -0.120204D+00
      2  -0.929140D+00 -0.116123D+01 -0.175204D+01 -0.126067D+01 -0.491341D-01
      3   0.836629D+01  0.135552D+01  0.154693D+01  0.127353D+01  0.147348D+01
                91            92            93            94            95 
      1   0.334854D+01  0.206710D+01 -0.205538D+01  0.185650D+01  0.179089D+01
      2  -0.490303D+01 -0.282787D+01  0.386571D+01 -0.224719D+01 -0.176297D+01
      3   0.256458D+01 -0.367558D+01 -0.637168D+00  0.577504D+00 -0.187034D+01
                96            97            98            99           100 
      1  -0.922663D+00 -0.162034D+01 -0.669523D+00  0.115824D+01  0.104513D+01
      2   0.145952D+01  0.264597D+01  0.164284D+01 -0.227328D+01 -0.156098D+01
      3   0.737502D-01 -0.118442D+00  0.179892D+01 -0.274958D+00 -0.365747D+01
               101           102           103           104           105 
      1  -0.163835D+01  0.334809D+01 -0.172768D+01  0.186654D+01 -0.395050D+01
      2   0.862429D+00  0.754506D-01  0.138432D+01 -0.120614D+01  0.270604D+00
      3   0.302255D+01 -0.230508D+01  0.641090D+01 -0.509274D+01  0.306874D+01
               106           107           108           109           110 
      1   0.245899D+01 -0.210222D+01  0.404436D+01 -0.874350D+00  0.812993D+00
      2  -0.226441D+01  0.982269D+00 -0.688057D+00  0.100124D+01  0.280767D+00
      3  -0.506924D+01  0.390984D+01 -0.374342D+01 -0.129490D+01 -0.289184D+00
               111           112           113           114           115 
      1   0.267205D+01  0.119886D+01 -0.268884D+01 -0.342802D+01  0.221848D+01
      2  -0.381166D+00  0.176651D+00  0.182184D+00  0.269157D+00 -0.266581D+01
      3   0.908747D+00  0.158995D+01 -0.111986D+01 -0.131526D+01  0.441693D+01
               116           117           118           119           120 
      1  -0.256546D+01 -0.118465D+02  0.202481D+01  0.356664D+01  0.725266D+00
      2   0.325243D+00  0.728729D+00 -0.321118D+00 -0.782045D+00  0.758079D+00
      3  -0.129010D+01 -0.267623D+01 -0.766571D+00 -0.334781D+01 -0.958652D+00
               121           122           123           124           125 
      1   0.271427D+01  0.124626D+02  0.168591D+01  0.120165D+01  0.393693D+01
      2  -0.285587D+01 -0.200056D+00  0.302794D+01 -0.192392D+01  0.751236D+00
      3  -0.141073D+00 -0.840069D+01 -0.216242D+01 -0.425011D+00 -0.162071D+01
               126           127           128           129           130 
      1   0.242875D+01  0.148281D+00 -0.254347D+01 -0.118355D+01 -0.721329D+00
      2   0.606444D+00  0.157012D+02  0.199275D+01 -0.613000D+01  0.182017D+01
      3  -0.180441D+01  0.382054D+01 -0.322383D+00 -0.137193D+01  0.191858D+01
               131           132           133           134           135 
      1   0.106301D+00  0.501654D+00 -0.507401D+00  0.268985D+01  0.490450D+00
      2   0.175102D+01 -0.124249D+01 -0.840283D+01 -0.131155D+01  0.629075D+01
      3   0.332735D+00 -0.122294D+01 -0.125311D+01 -0.246808D+00  0.152426D+01
               136           137           138           139           140 
      1  -0.266330D+01  0.468046D+01 -0.661302D-01  0.353123D+01 -0.474992D+01
      2  -0.373708D+01  0.214750D+01  0.127525D+01  0.367333D+01 -0.118511D+01
      3   0.370061D+00 -0.371010D+01  0.688603D+00 -0.185076D+00  0.354062D+01
               141           142           143           144           145 
      1   0.434425D+00 -0.119487D+01  0.315608D+01 -0.120406D+01 -0.664799D-01
      2  -0.187648D+01 -0.286936D+01 -0.255475D-01  0.651012D+00 -0.230518D+01
      3  -0.218537D+01 -0.181598D+00 -0.210757D+01  0.127043D+01  0.101014D+01
               146           147           148           149           150 
      1  -0.118815D-01 -0.663242D-01 -0.370015D+00  0.862579D-01 -0.564332D+00
      2  -0.302783D+00  0.471327D-01 -0.622597D+00 -0.184531D+01 -0.348740D+01
      3  -0.109232D+01  0.336310D+00 -0.413394D+00  0.392405D+00  0.239847D+01
               151           152           153           154           155 
      1   0.281090D+00  0.373437D+01 -0.253570D+01 -0.125992D+01 -0.172584D+01
      2  -0.125512D+01 -0.281143D+01 -0.228017D+02  0.199723D+01  0.814403D+00
      3   0.588997D+00  0.374278D+01  0.254309D+01 -0.429932D+01 -0.574933D+01
               156           157           158           159           160 
      1  -0.454959D+00 -0.165036D+01 -0.483779D+01 -0.195457D+01 -0.159093D+00
      2   0.194799D+01  0.119226D+01  0.242440D+01  0.417500D+01  0.428970D+00
      3   0.417877D+00 -0.343787D+01 -0.182180D+02 -0.342545D+00  0.198135D+00
               161           162           163           164           165 
      1   0.622530D+00 -0.583901D+00  0.247098D+01 -0.176361D+01  0.173982D+01
      2   0.139497D+01 -0.576911D+00  0.755030D+01 -0.376855D+01  0.598827D+01
      3  -0.171924D+01 -0.136874D+01  0.373527D+01 -0.754154D+01  0.995660D+00
               166           167           168           169           170 
      1  -0.201459D+01  0.175940D+01 -0.270328D+01  0.949273D+00 -0.376694D+00
      2  -0.401209D+01  0.391779D+01 -0.523250D+01  0.362625D+01 -0.306142D+01
      3  -0.469275D+01  0.647533D+01 -0.152556D+01  0.100518D+01 -0.330043D+01
               171 
      1   0.131859D+01
      2   0.283787D+01
      3   0.199817D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.150082D+01  0.116247D+02 -0.176427D+02  0.137177D+02 -0.235114D+02
      2  -0.602177D+01 -0.277273D+01  0.838187D+01 -0.490252D+01  0.905047D+01
      3   0.752259D+01 -0.885194D+01  0.926082D+01 -0.881513D+01  0.144609D+02
      4   0.156623D+02 -0.191285D+02  0.564983D+01 -0.266186D+02 -0.138540D+02
      5  -0.195109D+02  0.253295D+01  0.726292D+01  0.194894D+01 -0.366548D+01
      6   0.115403D+01  0.216207D+01 -0.916145D+00  0.271888D+01  0.550053D+01
                 6             7             8             9            10 
      1   0.452214D+01 -0.218088D+02  0.706608D+01  0.139140D+02 -0.812312D+01
      2   0.146585D+01  0.768879D+01  0.286371D+00  0.581660D+01 -0.917907D-01
      3  -0.598800D+01  0.141200D+02 -0.735245D+01 -0.197306D+02  0.821491D+01
      4  -0.563904D+01  0.823242D+01 -0.790336D+01  0.796623D+01 -0.288426D+01
      5   0.660810D+01  0.358004D+01  0.692022D+01  0.272234D+02  0.144101D+02
      6  -0.355834D+00  0.529745D+00 -0.612470D+00 -0.101375D+02 -0.418883D+01
                11            12            13            14            15 
      1  -0.493068D+00  0.117052D+02 -0.897389D+00  0.164090D+02  0.230849D+01
      2  -0.189244D+01 -0.755867D+01 -0.131349D+01 -0.209165D+02 -0.361471D+01
      3   0.238551D+01 -0.414649D+01  0.221088D+01  0.450752D+01  0.130622D+01
      4   0.743453D+01 -0.339645D+01  0.151452D+02  0.401616D+01  0.333872D+01
      5  -0.819168D+00 -0.279304D+01 -0.572591D+00  0.359513D+01 -0.149387D+01
      6   0.521434D+00  0.120298D+01  0.469887D+00 -0.547358D+01  0.395309D+01
                16            17            18            19            20 
      1   0.157764D+02  0.202214D+00  0.404183D+00 -0.813397D+01 -0.567733D+01
      2  -0.722998D+01 -0.126039D+01  0.148150D+01  0.122246D+02  0.204847D+01
      3  -0.854640D+01  0.105818D+01 -0.188568D+01 -0.409060D+01  0.362886D+01
      4  -0.492372D+01  0.354929D+01 -0.531064D+00 -0.327356D+01 -0.856515D+00
      5  -0.247781D+01 -0.178243D+00 -0.123620D+02 -0.384401D+01 -0.146382D+01
      6  -0.188060D+00 -0.868523D+00  0.208061D+01  0.168009D+00 -0.956674D+00
                21            22            23            24            25 
      1  -0.714838D+00  0.467031D-01 -0.193884D+00  0.101848D+01 -0.613701D+01
      2   0.172197D+01 -0.197483D+01 -0.477862D+01  0.476394D+00  0.210629D+01
      3  -0.100714D+01  0.192812D+01  0.497250D+01 -0.149487D+01  0.403073D+01
      4   0.786608D+00 -0.129239D+02 -0.197518D+01 -0.235474D+00  0.291007D+01
      5   0.178264D+01  0.211955D+01  0.661949D+00  0.193821D+01  0.183588D+01
      6  -0.235566D-01  0.953681D-01  0.341151D+01 -0.349436D+01 -0.399465D+00
                26            27            28            29            30 
      1   0.436725D+01  0.991386D+01 -0.554652D+01  0.106224D+02  0.719728D+00
      2  -0.264648D+01  0.119065D+02  0.611590D+00 -0.643881D+01 -0.478217D+01
      3  -0.172077D+01 -0.218203D+02  0.493493D+01 -0.418361D+01  0.406244D+01
      4  -0.734760D+00 -0.110718D+01  0.112699D+02 -0.812400D+01 -0.747690D+01
      5  -0.546778D+00 -0.559880D+00  0.756007D+01 -0.703592D+01 -0.107418D+02
      6   0.286372D+01  0.900931D+00 -0.379844D+01  0.620439D+00 -0.149844D+01
                31            32            33            34            35 
      1   0.175165D+02  0.540280D+01 -0.444294D+01  0.142570D+02 -0.348308D+01
      2  -0.103499D+02 -0.889897D+01  0.926710D+01 -0.853814D+01 -0.263699D+01
      3  -0.716668D+01  0.349617D+01 -0.482416D+01 -0.571890D+01  0.612007D+01
      4  -0.543172D+01 -0.175794D+01 -0.129014D+01 -0.107968D+02  0.703867D+01
      5  -0.161289D+02 -0.834534D+00 -0.202872D+01 -0.898990D+01  0.543729D+00
      6  -0.405680D+01 -0.669205D+01 -0.293672D+01 -0.208925D+01 -0.808115D+00
                36            37            38            39            40 
      1  -0.735548D+01 -0.178807D+02 -0.726992D+01  0.693603D+01 -0.790757D+01
      2   0.453925D+01  0.458477D+01  0.213530D+01 -0.380313D+01  0.410564D+01
      3   0.281624D+01  0.132959D+02  0.513462D+01 -0.313290D+01  0.380194D+01
      4   0.257285D+01 -0.145181D+02 -0.492512D+01  0.621460D+01  0.554747D+01
      5   0.141151D+02  0.697074D+01  0.377448D+01  0.628541D+01  0.788958D+01
      6  -0.562541D+01  0.523070D+01  0.256598D+01  0.120019D+01  0.530982D+01
                41            42            43            44            45 
      1  -0.175817D+02 -0.855349D+00  0.109540D+02  0.128294D+01 -0.432417D+01
      2   0.236030D+02 -0.961943D-01 -0.409242D+01  0.232593D+01 -0.302175D+01
      3  -0.602127D+01  0.951543D+00 -0.686159D+01 -0.360887D+01  0.734592D+01
      4   0.163313D+02  0.721913D+01  0.130911D+02  0.104056D+02  0.585694D+01
      5   0.762455D+01  0.776694D+01  0.105058D+02  0.875494D+01  0.133065D+02
      6   0.908760D+01  0.103787D+02  0.286049D+01  0.103684D+02  0.885982D+01
                46            47            48            49            50 
      1   0.117734D+02  0.468290D+01 -0.119049D+02  0.367515D+01 -0.608514D+01
      2   0.118559D+01 -0.744778D+00  0.245649D+01 -0.101603D+01  0.946518D+01
      3  -0.129590D+02 -0.393812D+01  0.944843D+01 -0.265912D+01 -0.338004D+01
      4   0.471239D+01 -0.129830D+02  0.786720D+01 -0.147488D+02 -0.354241D+01
      5  -0.603169D+01  0.856456D+01 -0.115074D+02  0.731429D+01 -0.187787D+02
      6   0.126000D+02 -0.123736D+02  0.162469D+00 -0.136447D+02 -0.582442D+01
                51            52            53            54            55 
      1   0.634845D+00 -0.107765D+02 -0.104367D+01 -0.616379D+01  0.109604D+02
      2  -0.513243D+00  0.191683D+01  0.174708D+00 -0.657004D+01 -0.793160D+01
      3  -0.121602D+00  0.885968D+01  0.868967D+00  0.127338D+02 -0.302884D+01
      4  -0.113194D+02  0.665095D+01 -0.782732D+01  0.183139D+01  0.426956D+01
      5   0.394715D+01 -0.112562D+02  0.206760D+01  0.106891D+02 -0.121177D+01
      6  -0.120826D+02  0.110087D+01 -0.871242D+01  0.283940D+01  0.369918D+01
                56            57            58            59            60 
      1  -0.110004D+02  0.208429D+01 -0.788121D+01 -0.639371D+01 -0.179902D+01
      2   0.166485D+02 -0.245190D+01  0.140491D+02  0.165343D+02  0.374720D+01
      3  -0.564807D+01  0.367619D+00 -0.616789D+01 -0.101406D+02 -0.194818D+01
      4  -0.846993D+00  0.235959D+01  0.733790D+01  0.161414D+02 -0.279920D+01
      5   0.186576D+01  0.225618D+01  0.507823D+00 -0.313541D+01  0.119761D+01
      6  -0.649940D+01  0.115266D+02 -0.554776D+01  0.403537D+01 -0.218653D+01
                61            62            63            64            65 
      1   0.387102D+01 -0.351983D+00  0.413331D+01  0.378243D+02 -0.958940D+01
      2  -0.337330D+01  0.338024D+01 -0.976008D+01 -0.202519D+02  0.326508D+01
      3  -0.497717D+00 -0.302825D+01  0.562677D+01 -0.175724D+02  0.632432D+01
      4   0.292931D+01 -0.201071D+01  0.978624D+01 -0.166872D+02  0.194413D+02
      5   0.443520D+01  0.339650D+01 -0.242223D+01 -0.169117D+02  0.750658D+01
      6   0.112864D+02 -0.570792D+01 -0.739049D+01  0.242723D+01 -0.222390D+01
                66            67            68            69            70 
      1  -0.941794D+01 -0.149039D+02  0.194837D+01  0.150987D+01 -0.142448D+02
      2   0.994346D+01  0.643311D+01  0.541500D+01 -0.293832D+01  0.996583D+01
      3  -0.525528D+00  0.847075D+01 -0.736337D+01  0.142845D+01  0.427895D+01
      4   0.763068D+01  0.177436D+02 -0.175647D+02 -0.855545D+01  0.617235D+01
      5   0.184352D+02  0.782645D+01 -0.865773D+01 -0.692885D+01  0.211752D+02
      6  -0.258166D+01 -0.342988D+01  0.332290D+01  0.757904D+01 -0.220961D+01
                71            72            73            74            75 
      1  -0.175869D-02  0.366043D+01  0.664170D+00  0.297089D+00  0.111906D+00
      2  -0.159593D+00 -0.146263D+02 -0.420483D+01  0.343480D+00 -0.226828D+00
      3   0.161352D+00  0.109659D+02  0.354066D+01 -0.640569D+00  0.114922D+00
      4  -0.121334D+02 -0.102714D+02  0.698979D-03  0.134893D+01 -0.667158D+00
      5  -0.852650D+01 -0.271961D+02  0.433687D-01  0.429856D-01  0.573262D+01
      6   0.707004D+01  0.481537D+01 -0.439958D+00  0.364997D-01 -0.162776D-01
                76            77            78            79            80 
      1   0.962733D+00 -0.379569D+01 -0.118914D+01  0.720390D+00  0.576819D+00
      2   0.313548D+00  0.345929D+00 -0.170485D+01  0.904340D-01 -0.236819D+01
      3  -0.127628D+01  0.344976D+01  0.289399D+01 -0.810824D+00  0.179137D+01
      4   0.228242D+01 -0.177065D+00  0.490430D-01 -0.347182D+00  0.254769D+00
      5   0.112215D+00 -0.243229D+00 -0.146335D+00  0.537643D+01  0.219546D+00
      6   0.162406D+00  0.469895D+00  0.620637D+01  0.913264D-01  0.492397D+01
                81            82            83            84            85 
      1  -0.193072D+02 -0.813235D+00 -0.342675D+01 -0.196712D+01 -0.539786D+01
      2  -0.160979D+02  0.430116D+01  0.465169D+01  0.171636D+01  0.600696D+01
      3   0.354050D+02 -0.348793D+01 -0.122494D+01  0.250764D+00 -0.609096D+00
      4   0.495874D+00  0.919520D+00  0.367686D+01  0.832083D+00  0.316299D+01
      5   0.123194D+01 -0.131866D+01  0.608183D+00  0.102646D+01  0.112629D+01
      6  -0.305876D+01  0.127945D+01  0.937406D+00  0.793906D+00  0.744441D+00
                86            87            88            89            90 
      1  -0.187682D+02 -0.133898D+01 -0.314745D+01 -0.227509D+01 -0.410820D+01
      2   0.311350D+02  0.386052D+01  0.194617D+01  0.290319D+01  0.273493D+01
      3  -0.123669D+02 -0.252154D+01  0.120128D+01 -0.628106D+00  0.137327D+01
      4  -0.874551D+01 -0.156982D+01  0.477056D+00 -0.151761D+01 -0.100435D+01
      5  -0.158513D+01 -0.303187D+01  0.224670D+01 -0.151705D+01  0.594127D+00
      6   0.531945D+01  0.564833D+01  0.141176D+01  0.713166D+01  0.274415D+01
                91            92            93            94            95 
      1   0.367106D+02  0.151491D+02 -0.244799D+01  0.577228D+01  0.453033D+01
      2  -0.131974D+02 -0.279977D+01  0.135822D+00  0.105077D+01  0.270284D+01
      3  -0.235132D+02 -0.123493D+02  0.231216D+01 -0.682305D+01 -0.723317D+01
      4   0.286983D+02  0.202740D+02 -0.110480D+01  0.127318D+02  0.126558D+02
      5   0.202546D+01  0.141419D+01  0.545991D+01  0.365726D+00  0.730206D+00
      6  -0.121224D+01  0.150988D+00  0.266142D+01  0.324607D+00  0.305055D+00
                96            97            98            99           100 
      1  -0.550085D+00 -0.101742D+02 -0.478086D+01  0.311468D+01 -0.185848D+01
      2  -0.279032D+00  0.324780D+01  0.185574D+00 -0.139083D+01  0.486003D+01
      3   0.829116D+00  0.692645D+01  0.459529D+01 -0.172385D+01 -0.300155D+01
      4  -0.659209D+00 -0.961978D+01 -0.731807D+01  0.437040D+01 -0.552897D+01
      5   0.197504D+01  0.558165D+01  0.301573D+01 -0.213778D+01  0.287575D+01
      6   0.194092D+01  0.344185D+01  0.280136D+01 -0.167228D+01 -0.560692D+01
               101           102           103           104           105 
      1   0.799382D+01 -0.370748D+01  0.574538D+01 -0.146403D+02  0.624051D+01
      2  -0.124830D+02  0.432382D+01 -0.937913D+01  0.232870D+02 -0.846693D+01
      3   0.448919D+01 -0.616333D+00  0.363375D+01 -0.864666D+01  0.222642D+01
      4   0.989303D+01 -0.469848D+01  0.911713D+01 -0.990256D+01  0.465261D+01
      5  -0.305605D+01  0.371112D+01 -0.198625D+01  0.321392D+01 -0.178406D+01
      6   0.901349D+01 -0.766604D+01  0.678742D+01 -0.137488D+02  0.102446D+02
               106           107           108           109           110 
      1  -0.456503D+01  0.942872D+01 -0.831171D+01 -0.706090D+00  0.295132D+01
      2   0.497440D+01 -0.109876D+02  0.613046D+01  0.132638D+01 -0.432064D+01
      3  -0.409371D+00  0.155889D+01  0.218125D+01 -0.620292D+00  0.136932D+01
      4  -0.621256D+01  0.623702D+01 -0.558964D+01 -0.142007D-01  0.319906D+01
      5   0.359819D+01 -0.295165D+01  0.310912D+01 -0.123570D+01 -0.327913D+00
      6  -0.745496D+01  0.140186D+02 -0.122775D+02  0.809120D+00 -0.213858D+01
               111           112           113           114           115 
      1   0.132372D+01  0.125661D+01 -0.496294D+01 -0.287764D+01  0.608684D+00
      2  -0.187459D+01 -0.185825D+01  0.764043D+01  0.428733D+01 -0.158672D+01
      3   0.550866D+00  0.601644D+00 -0.267749D+01 -0.140969D+01  0.978034D+00
      4   0.562422D+00  0.367604D+01 -0.212215D+01 -0.168322D+01  0.406397D+01
      5   0.138283D+01 -0.442095D-01 -0.402946D+00 -0.248720D+00  0.516327D+00
      6  -0.406597D+01 -0.191333D+01  0.432145D+01  0.746623D+01 -0.396979D+01
               116           117           118           119           120 
      1  -0.758247D+01 -0.672218D+01  0.368402D+01  0.271244D+01  0.157857D+01
      2   0.102521D+02  0.448408D+01 -0.357344D+01 -0.210856D+01 -0.312042D+01
      3  -0.266964D+01  0.223811D+01 -0.110575D+00 -0.603876D+00  0.154185D+01
      4  -0.228174D+01 -0.357678D+01  0.469703D+01  0.787224D+01  0.172606D+01
      5  -0.936320D+00 -0.181646D+00  0.669708D+01  0.446339D+01  0.781426D+01
      6   0.799746D+01  0.175908D+02  0.261431D+01  0.640959D+01  0.229589D+01
               121           122           123           124           125 
      1   0.478254D+01 -0.193565D+01 -0.408091D+01  0.726918D+00 -0.228020D+01
      2  -0.402136D+01  0.112785D+01 -0.531402D+01 -0.171543D+01 -0.238419D+01
      3  -0.761173D+00  0.807798D+00  0.939494D+01  0.988510D+00  0.466439D+01
      4   0.768870D+01  0.149916D+02  0.692040D+01  0.931606D+00  0.414528D+01
      5   0.806399D+01  0.108244D+02  0.100555D+02  0.545376D+01  0.480724D+01
      6   0.665688D+01  0.181800D+02  0.100950D+02  0.215047D+01  0.873213D+01
               126           127           128           129           130 
      1  -0.284576D+01 -0.915869D+01 -0.380151D+01  0.135642D+02 -0.261357D+01
      2  -0.245844D+01 -0.733652D+00  0.147426D+01  0.387102D+01  0.139486D+01
      3   0.530420D+01  0.989234D+01  0.232724D+01 -0.174352D+02  0.121871D+01
      4   0.365379D+01  0.436116D+01  0.248356D+01 -0.299541D+01  0.355684D+01
      5   0.477076D+01 -0.125696D+02 -0.266012D+01  0.564795D+01 -0.270621D+01
      6   0.518518D+01 -0.521888D+01 -0.487968D+01  0.562775D+01 -0.248739D+01
               131           132           133           134           135 
      1  -0.322961D+01  0.279364D+01  0.952053D+01  0.261276D+01 -0.124340D+02
      2   0.922814D+00 -0.423459D+00  0.205890D+01 -0.293946D+00 -0.539006D+01
      3   0.230680D+01 -0.237018D+01 -0.115794D+02 -0.231881D+01  0.178241D+02
      4   0.120940D+01  0.730685D+00 -0.215634D+01  0.392262D+00  0.163768D+01
      5   0.533775D+00  0.141079D+00  0.823677D+01  0.728334D+00 -0.463776D+01
      6  -0.255346D+01  0.612899D+01  0.316524D+01  0.571322D+01 -0.494938D+01
               136           137           138           139           140 
      1   0.115070D+02 -0.390779D+01  0.227522D+01 -0.529709D+01 -0.157291D+01
      2  -0.857497D+01  0.118199D+01 -0.658830D+01  0.186078D+01  0.416496D+01
      3  -0.293198D+01  0.272580D+01  0.431308D+01  0.343630D+01 -0.259205D+01
      4  -0.136067D+02  0.129785D+02 -0.780988D+01  0.138873D+02 -0.144944D+02
      5   0.191611D+02 -0.110517D+02  0.169112D+02 -0.129048D+02  0.128366D+02
      6  -0.102162D+02  0.109396D+02 -0.842477D+01  0.104918D+02 -0.145292D+02
               141           142           143           144           145 
      1   0.327590D+01  0.213130D+01  0.222485D+01 -0.238220D+01  0.798237D+00
      2   0.229383D+01 -0.501510D+01  0.169630D+01 -0.559854D+01 -0.237977D+01
      3  -0.556973D+01  0.288381D+01 -0.392116D+01  0.798074D+01  0.158153D+01
      4   0.910672D+01 -0.526661D+01  0.596038D+01 -0.713734D+01 -0.161443D+01
      5  -0.122140D+02  0.127158D+02 -0.814435D+01  0.125161D+02 -0.265264D+01
      6   0.130727D+02 -0.628775D+01  0.972939D+01 -0.967062D+01  0.135569D+01
               146           147           148           149           150 
      1  -0.203833D+01 -0.461996D+01 -0.315092D+01 -0.192412D+00 -0.307357D+01
      2   0.904987D+00  0.221119D+01  0.138584D+01 -0.495923D+00 -0.132272D+00
      3   0.113334D+01  0.240877D+01  0.176508D+01  0.688336D+00  0.320584D+01
      4   0.271976D+01  0.654366D+00  0.529922D+01 -0.182312D+01 -0.493418D+01
      5   0.583300D+00  0.539457D+01  0.194274D+01 -0.458260D+01 -0.591984D+01
      6   0.183567D+00  0.548049D+00 -0.148811D+01  0.329528D+01  0.779736D+01
               151           152           153           154           155 
      1  -0.763213D+01 -0.278950D+01 -0.144930D+02  0.120633D+02  0.791481D+01
      2   0.750411D+01 -0.114748D+00 -0.177563D+02 -0.340199D+01 -0.309261D+01
      3   0.128026D+00  0.290425D+01  0.322493D+02 -0.866136D+01 -0.482220D+01
      4   0.222541D+01 -0.673511D+01 -0.613579D+01  0.833853D+01  0.137843D+02
      5   0.143149D+02 -0.566283D+01 -0.427475D+02 -0.187697D-01 -0.162738D+01
      6  -0.245239D+01  0.830423D+01  0.120803D+02 -0.174000D+01 -0.256314D+01
               156           157           158           159           160 
      1   0.165376D+01  0.179475D+02  0.101547D+02 -0.950122D+00  0.545837D+01
      2  -0.419695D+00 -0.777818D+01  0.165833D+01  0.170860D+01 -0.195717D+01
      3  -0.123406D+01 -0.101693D+02 -0.118131D+02 -0.758474D+00 -0.350120D+01
      4  -0.619107D+00  0.166877D+02  0.303856D+02  0.111341D+00  0.239338D+00
      5   0.267575D+01 -0.431741D+01 -0.238299D+00  0.800173D+01  0.335050D+01
      6   0.716568D+00 -0.233584D+01 -0.696201D+01  0.225874D+01  0.114525D+01
               161           162           163           164           165 
      1   0.245081D+00 -0.379368D+00  0.450517D+02 -0.162856D+02  0.686951D+01
      2   0.381934D+00 -0.140843D+01 -0.173888D+02  0.377036D+01 -0.213585D+01
      3  -0.627015D+00  0.178780D+01 -0.276629D+02  0.125152D+02 -0.473366D+01
      4   0.267271D+01  0.311158D+01 -0.244581D+02  0.193584D+02 -0.354147D+01
      5   0.366435D+01 -0.205436D+01  0.286107D+01 -0.134053D+01  0.804851D+01
      6   0.263077D+01  0.749169D+00  0.108376D+01 -0.190609D+01 -0.154298D+01
               166           167           168           169           170 
      1  -0.236028D+02  0.126846D+02 -0.246196D+01  0.162617D+02 -0.473395D+01
      2   0.645148D+01  0.150419D+01 -0.992087D+00 -0.619083D+01 -0.500672D-01
      3   0.171513D+02 -0.141888D+02  0.345404D+01 -0.100709D+02  0.478402D+01
      4   0.238453D+02 -0.194285D+02  0.385578D+01 -0.860052D+01  0.780611D+01
      5  -0.557189D+00  0.210347D+01 -0.783507D+01  0.778738D+01 -0.531064D+01
      6  -0.155841D+01  0.508233D+00  0.307119D+01 -0.178834D+01  0.202489D+01
               171 
      1   0.382972D+01
      2  -0.287138D+01
      3  -0.958337D+00
      4  -0.592941D+01
      5   0.404245D+01
      6  -0.108995D+01
 Leave Link  716 at Mon Aug 16 21:42:47 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.879867D+02  0.343827D+00 -0.270068D+01
      2   0.343827D+00  0.776004D+02  0.197378D+01
      3  -0.270068D+01  0.197378D+01  0.747852D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.166262D+01  0.620515D+00  0.456091D-01
      2   0.559732D+01 -0.633492D+01  0.334722D+02
      3   0.725817D+01 -0.248618D+02  0.734486D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.699124D+02 -0.250643D+02  0.437209D+01
      2  -0.392390D+02  0.239578D+02 -0.121798D+02
      3  -0.306734D+02  0.110650D+01  0.780767D+01
      4  -0.236449D+02  0.388670D+02 -0.172248D+02
      5   0.111465D+02 -0.196652D+02  0.663773D+02
      6  -0.477441D+01 -0.336024D+00 -0.605343D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.117188D+00  0.207301D+01 -0.343156D+01  0.319349D+01 -0.382856D+01
      2   0.207301D+01 -0.323481D+01  0.677346D+00 -0.382856D+01 -0.309043D+01
      3  -0.343156D+01  0.677346D+00  0.113694D+01  0.492768D+00 -0.116964D+01
                 6             7             8             9            10 
      1   0.492768D+00 -0.452956D+01  0.923818D+00  0.161194D-01  0.192763D+01
      2  -0.116964D+01  0.923818D+00 -0.128992D+01  0.150581D+01 -0.182785D+01
      3   0.171939D+01  0.161194D-01  0.150581D+01  0.675456D+01  0.367364D+01
                11            12            13            14            15 
      1  -0.182785D+01  0.367364D+01 -0.486342D+01  0.378905D+01  0.597425D-01
      2   0.376105D+01 -0.126152D+00  0.378905D+01  0.438218D+01  0.200431D+01
      3  -0.126152D+00 -0.873416D+00  0.597425D-01  0.200431D+01 -0.648049D+00
                16            17            18            19            20 
      1   0.575263D+01 -0.391411D+00 -0.371633D+00 -0.241055D+01  0.513375D+01
      2  -0.391411D+00  0.231798D+01 -0.167980D+00  0.513375D+01 -0.507541D+00
      3  -0.371633D+00 -0.167980D+00 -0.512610D+01 -0.120828D+01  0.972706D-01
                21            22            23            24            25 
      1  -0.120828D+01  0.518532D+01 -0.866455D+00  0.251579D+00 -0.321107D+01
      2   0.972706D-01 -0.866455D+00 -0.764899D+00 -0.711761D+00 -0.259699D+00
      3  -0.293423D+00  0.251579D+00 -0.711761D+00  0.157813D+01 -0.428338D+00
                26            27            28            29            30 
      1  -0.259699D+00 -0.428338D+00  0.518875D+00 -0.345533D+01 -0.732049D+00
      2  -0.173115D+01  0.114929D+01 -0.345533D+01  0.831733D+00  0.155412D+01
      3   0.114929D+01  0.597732D+01 -0.732049D+00  0.155412D+01  0.768674D+00
                31            32            33            34            35 
      1  -0.363126D+01 -0.126204D+00  0.188202D+01 -0.366224D+01  0.170053D+01
      2  -0.126204D+00 -0.550302D+00  0.554288D+00  0.170053D+01  0.753687D-01
      3   0.188202D+01  0.554288D+00 -0.126745D+01  0.146792D+01 -0.108242D+01
                36            37            38            39            40 
      1   0.146792D+01  0.541823D+01  0.174801D+01 -0.170073D+01  0.677372D+00
      2  -0.108242D+01  0.174801D+01  0.180912D+01 -0.711538D+00  0.299403D+00
      3  -0.252378D+01 -0.170073D+01 -0.711538D+00  0.421225D+00 -0.114800D+01
                41            42            43            44            45 
      1   0.299403D+00 -0.114800D+01 -0.300051D+01 -0.174680D+01 -0.908135D+00
      2  -0.411124D+01 -0.165617D+01 -0.174680D+01 -0.238745D+01 -0.167633D+01
      3  -0.165617D+01 -0.860296D+00 -0.908135D+00 -0.167633D+01 -0.261889D+01
                46            47            48            49            50 
      1   0.108051D+01  0.235567D+01 -0.441530D+01  0.255861D+01 -0.361740D+01
      2   0.235567D+01 -0.340157D+01  0.511323D+00 -0.361740D+01 -0.246928D+01
      3  -0.441530D+01  0.511323D+00  0.793493D+00  0.532538D+00 -0.297569D+01
                51            52            53            54            55 
      1   0.532538D+00 -0.379498D+01  0.289482D+00  0.671068D+00  0.196526D+01
      2  -0.297569D+01  0.289482D+00 -0.236829D+01  0.551813D+00 -0.122786D+01
      3   0.128389D+01  0.671068D+00  0.551813D+00  0.305321D+01  0.837830D+00
                56            57            58            59            60 
      1  -0.122786D+01  0.837830D+00 -0.948405D+00  0.254538D+01 -0.817484D+00
      2   0.378663D+01 -0.772555D+00  0.254538D+01  0.125785D+01  0.783119D+00
      3  -0.772555D+00  0.246368D+01 -0.817484D+00  0.783119D+00 -0.167872D+01
                61            62            63            64            65 
      1   0.112765D+01 -0.128491D+01  0.248295D+01 -0.674285D+01  0.255560D+01
      2  -0.128491D+01  0.882143D+00 -0.157695D+01  0.255560D+01 -0.248385D+01
      3   0.248295D+01 -0.157695D+01 -0.226643D+01  0.281962D+01 -0.127173D+01
                66            67            68            69            70 
      1   0.281962D+01  0.392846D+01 -0.216090D+01 -0.109554D+01  0.539511D+01
      2  -0.127173D+01 -0.216090D+01  0.430147D+01  0.171063D+01 -0.874579D+00
      3  -0.193690D+01 -0.109554D+01  0.171063D+01  0.182080D+01 -0.289547D+01
                71            72            73            74            75 
      1  -0.874579D+00 -0.289547D+01  0.469527D+00 -0.675088D+00 -0.997520D+00
      2   0.233819D+01  0.209446D+01 -0.675088D+00  0.227101D+00 -0.596025D-01
      3   0.209446D+01  0.565857D+01 -0.997520D+00 -0.596025D-01  0.133787D+00
                76            77            78            79            80 
      1  -0.130820D+01  0.267607D+00  0.553732D-02 -0.146543D+01  0.252564D-01
      2   0.267607D+00  0.105961D+00 -0.107378D+01  0.252564D-01 -0.128603D+01
      3   0.553732D-02 -0.107378D+01 -0.672016D+00  0.487803D-01 -0.254201D+00
                81            82            83            84            85 
      1   0.487803D-01 -0.145076D+01 -0.103997D+01 -0.831117D+00 -0.136812D+01
      2  -0.254201D+00 -0.103997D+01 -0.141967D+01  0.967466D-02 -0.125722D+01
      3  -0.828379D+01 -0.831117D+00  0.967466D-02 -0.284509D+00 -0.354734D-01
                86            87            88            89            90 
      1  -0.125722D+01 -0.354734D-01 -0.116976D+01 -0.461418D-01 -0.109272D+00
      2  -0.717355D+01 -0.109188D+01 -0.461418D-01 -0.108491D+01 -0.120895D+01
      3  -0.109188D+01 -0.151752D+01 -0.109272D+00 -0.120895D+01 -0.115607D+00
                91            92            93            94            95 
      1  -0.770672D+01 -0.399632D+01  0.329866D+00 -0.213869D+01 -0.190182D+01
      2  -0.399632D+01 -0.347718D+01  0.355538D-01 -0.190182D+01 -0.247813D+01
      3   0.329866D+00  0.355538D-01 -0.117101D+01  0.177054D+00  0.119161D-01
                96            97            98            99           100 
      1   0.177054D+00  0.243139D+01  0.140424D+01 -0.100094D+01 -0.104116D+01
      2   0.119161D-01  0.140424D+01  0.120807D+01 -0.614252D+00  0.172362D+01
      3  -0.589306D+00 -0.100094D+01 -0.614252D+00  0.371701D+00 -0.991795D+00
               101           102           103           104           105 
      1   0.172362D+01 -0.991795D+00  0.181043D+01 -0.211567D+01  0.103931D+01
      2  -0.258241D+01  0.130616D+01 -0.211567D+01  0.491698D+01 -0.190936D+01
      3   0.130616D+01 -0.123483D+01  0.103931D+01 -0.190936D+01  0.168428D+01
               106           107           108           109           110 
      1  -0.186590D+01  0.152006D+01 -0.137512D+01 -0.250520D+00  0.455495D+00
      2   0.152006D+01 -0.323218D+01  0.221156D+01  0.455495D+00 -0.758590D+00
      3  -0.137512D+01  0.221156D+01 -0.235787D+01  0.233875D+00 -0.468450D+00
               111           112           113           114           115 
      1   0.233875D+00  0.607192D+00 -0.347683D+00 -0.462794D+00  0.147314D+01
      2  -0.468450D+00 -0.347683D+00  0.165120D+01  0.974641D+00 -0.340926D+00
      3  -0.903850D+00 -0.462794D+00  0.974641D+00  0.120384D+01 -0.763718D+00
               116           117           118           119           120 
      1  -0.340926D+00 -0.763718D+00  0.124527D+01  0.892284D+00  0.108472D+01
      2   0.261218D+01  0.151323D+01  0.892284D+00  0.165557D+01  0.508361D+00
      3   0.151323D+01  0.431921D+01  0.108472D+01  0.508361D+00  0.976003D+00
               121           122           123           124           125 
      1   0.166068D+01  0.148525D+01  0.856719D+00  0.813870D+00  0.376399D+00
      2   0.148525D+01  0.500548D+01  0.182447D+01  0.376399D+00  0.131087D+01
      3   0.856719D+00  0.182447D+01  0.272256D+01  0.426022D+00  0.116326D+01
               126           127           128           129           130 
      1   0.426022D+00 -0.488568D+01 -0.782025D+00  0.231667D+01 -0.834023D+00
      2   0.116326D+01 -0.782025D+00 -0.886312D+00  0.622284D+00 -0.386043D+00
      3   0.116189D+01  0.231667D+01  0.622284D+00 -0.354075D+01  0.319327D+00
               131           132           133           134           135 
      1  -0.386043D+00  0.319327D+00  0.207785D+01  0.313358D+00 -0.195906D+01
      2  -0.419216D+00  0.105901D+01  0.313358D+00  0.906578D+00 -0.578636D+00
      3   0.105901D+01 -0.841074D+00 -0.195906D+01 -0.578636D+00  0.301850D+01
               136           137           138           139           140 
      1   0.370887D+01 -0.223892D+01  0.245205D+01 -0.269252D+01  0.239767D+01
      2  -0.223892D+01  0.237125D+01 -0.131314D+01  0.239767D+01 -0.306939D+01
      3   0.245205D+01 -0.131314D+01  0.238860D+01 -0.145181D+01  0.217687D+01
               141           142           143           144           145 
      1  -0.145181D+01  0.159599D+01 -0.922425D+00  0.155696D+01  0.646838D-01
      2   0.217687D+01 -0.922425D+00  0.150209D+01 -0.155010D+01 -0.283550D+00
      3  -0.254900D+01  0.155696D+01 -0.155010D+01  0.222455D+01 -0.663065D+00
               146           147           148           149           150 
      1  -0.283550D+00 -0.663065D+00 -0.729240D+00  0.674766D+00  0.180939D+00
      2   0.202664D+00 -0.193647D-01  0.674766D+00 -0.381434D+00 -0.109206D+01
      3  -0.193647D-01 -0.258178D+00  0.180939D+00 -0.109206D+01 -0.136941D+01
               151           152           153           154           155 
      1  -0.185912D+01  0.225601D+00  0.163552D+01  0.177641D+01  0.138878D+01
      2   0.225601D+00 -0.136494D+01 -0.115181D+01  0.138878D+01  0.178136D+01
      3   0.163552D+01 -0.115181D+01 -0.922131D+01  0.250023D+00 -0.152689D+00
               156           157           158           159           160 
      1   0.250023D+00  0.319732D+01  0.217493D+01 -0.458693D+00  0.912806D+00
      2  -0.152689D+00  0.217493D+01  0.545294D+01  0.293146D-01  0.428290D-01
      3   0.349464D+00 -0.458693D+00  0.293146D-01  0.130282D+01  0.454870D+00
               161           162           163           164           165 
      1   0.428290D-01  0.454870D+00  0.643016D+01 -0.279932D+01  0.973128D+00
      2   0.513529D+00  0.562921D+00 -0.279932D+01  0.232544D+01 -0.426867D+00
      3   0.562921D+00 -0.469895D+00  0.973128D+00 -0.426867D+00  0.106499D+01
               166           167           168           169           170 
      1  -0.430499D+01  0.297390D+01 -0.327736D+00  0.297813D+01 -0.954678D+00
      2   0.297390D+01 -0.256619D+01  0.551770D+00 -0.954678D+00  0.107786D+01
      3  -0.327736D+00  0.551770D+00 -0.132286D+01  0.105148D+01 -0.890709D+00
               171 
      1   0.105148D+01
      2  -0.890709D+00
      3   0.444178D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.331566D+01  0.293915D+01 -0.297644D-01  0.397422D+01  0.228541D+01
      2  -0.927155D+01  0.368692D+01  0.121141D+01  0.443167D+01 -0.643580D+01
      3  -0.581951D+01  0.610029D+01 -0.327790D+00  0.134502D+02  0.111360D+02
                 6             7             8             9            10 
      1  -0.841857D+00  0.376434D+00  0.291989D+01 -0.882739D-01  0.372164D+01
      2   0.496423D+01 -0.792722D+01  0.519407D+01  0.198030D+02  0.713005D+01
      3   0.173540D+01 -0.174998D+01  0.309509D+01 -0.472261D+01  0.137881D+01
                11            12            13            14            15 
      1  -0.649299D+00 -0.366241D+00 -0.686499D+00  0.268678D+01 -0.470742D+01
      2  -0.131254D+01  0.332613D+01 -0.415889D+01  0.265996D+01 -0.933878D+00
      3  -0.494154D+01 -0.126434D+01  0.842405D+00 -0.103078D+02 -0.235849D+01
                16            17            18            19            20 
      1  -0.131493D+01  0.170817D+01 -0.251307D+01 -0.473100D+01 -0.306882D+00
      2  -0.279617D+01  0.571544D-02 -0.491264D+01 -0.123928D+01  0.190632D+01
      3  -0.243386D-01 -0.185210D+01  0.101747D+01  0.406656D+01 -0.373474D+01
                21            22            23            24            25 
      1  -0.136174D+01  0.549032D+00  0.206415D+01  0.789425D+00 -0.875165D+00
      2   0.184566D+01  0.427732D+01 -0.153894D+01  0.140492D+01 -0.799953D+01
      3   0.136160D+01  0.147722D+01  0.107317D+01  0.725812D+00 -0.134359D+01
                26            27            28            29            30 
      1   0.472275D+01 -0.267918D+01  0.289987D+01  0.370002D+01  0.128248D+01
      2  -0.663559D+00 -0.186483D+01 -0.743055D+01 -0.245579D+01 -0.514559D+01
      3   0.728561D+00  0.184731D+00 -0.707950D+01  0.273244D+01 -0.156110D+01
                31            32            33            34            35 
      1   0.688862D+00 -0.791493D+01  0.399841D+00  0.109070D+01  0.352498D+01
      2   0.338716D+01  0.280299D+01  0.396343D+00 -0.118935D+02 -0.447208D+00
      3   0.394539D+01  0.238326D+01 -0.296654D+01 -0.764869D+01 -0.884092D+01
                36            37            38            39            40 
      1   0.689301D+01 -0.290295D+01 -0.690526D+00 -0.403532D+00 -0.186162D+00
      2   0.849254D+01  0.599118D+01  0.290460D+01  0.691775D+00 -0.219620D+01
      3  -0.202726D+01 -0.168975D+01 -0.289640D+00  0.737256D+00  0.585810D+01
                41            42            43            44            45 
      1   0.241182D+01 -0.516499D+01  0.201963D+01  0.325841D+01 -0.310410D+01
      2   0.230296D+01  0.197679D+01 -0.381620D+01  0.232564D+01  0.526212D+01
      3  -0.819693D+01 -0.183727D+01  0.273753D+01 -0.135772D+01 -0.300512D+01
                46            47            48            49            50 
      1   0.222755D+01 -0.643250D+01  0.169503D+01 -0.672807D+01 -0.627958D+01
      2  -0.993118D+01 -0.398893D+01  0.134818D+02 -0.265296D+01  0.253954D+01
      3  -0.405467D+01  0.155941D+01  0.831531D+00  0.586326D+01  0.528758D+01
                51            52            53            54            55 
      1  -0.899643D+01  0.104495D+01 -0.270213D+01  0.416810D+01 -0.674701D+00
      2   0.222481D+00  0.656242D+01  0.294319D+00  0.178374D+01  0.147954D+01
      3   0.376692D+01  0.101274D+01  0.298175D+01 -0.972635D+00  0.552934D+01
                56            57            58            59            60 
      1   0.116333D+01 -0.672017D+01  0.714776D+00 -0.449130D+01 -0.899047D+00
      2  -0.128146D+00  0.475721D+01 -0.506109D+00  0.133501D+01 -0.534702D+00
      3  -0.905048D+01  0.168791D+01  0.276394D+01  0.673052D+01 -0.208190D+01
                61            62            63            64            65 
      1  -0.539846D+01  0.854027D+01  0.555271D+01 -0.104165D+01 -0.303783D+01
      2   0.184431D+00 -0.225284D+00  0.155431D+00 -0.110750D+01  0.256196D+01
      3   0.127682D+01 -0.292459D+01  0.706126D+01  0.199437D+01 -0.947911D+01
                66            67            68            69            70 
      1   0.161694D+01  0.598037D+00  0.256016D+01 -0.350879D+01 -0.263949D+00
      2   0.956200D+01  0.616193D+00 -0.507204D+01 -0.362219D+01  0.195913D+01
      3  -0.873886D+00  0.592908D+00  0.771235D+01  0.386465D+01  0.476499D+01
                71            72            73            74            75 
      1   0.432056D+01 -0.258024D+01  0.919044D+00 -0.252192D+00  0.265884D+00
      2  -0.349541D+01 -0.128159D+02  0.860935D+00 -0.438981D+00 -0.503763D-01
      3   0.785894D+01  0.367794D+01  0.189876D+00 -0.621524D+00 -0.583078D+00
                76            77            78            79            80 
      1  -0.266300D+00  0.729457D-01  0.196550D+00 -0.225294D-01  0.378629D+01
      2  -0.137690D+01  0.259654D+00 -0.761028D-01 -0.383250D+01  0.212463D+00
      3   0.143470D+01 -0.505364D-01 -0.341205D+00  0.265756D+00 -0.129202D+00
                81            82            83            84            85 
      1   0.218822D+01 -0.127582D+01  0.122683D+00 -0.637758D+00 -0.125291D+00
      2   0.721043D+00 -0.125366D+01 -0.165468D+00  0.264421D+00 -0.330277D+00
      3  -0.155445D+00  0.383002D+01  0.163225D+01  0.930281D+00  0.613652D+01
                86            87            88            89            90 
      1  -0.177518D+00 -0.375708D+01 -0.112333D+00  0.293271D+00 -0.120204D+00
      2  -0.929140D+00 -0.116123D+01 -0.175204D+01 -0.126067D+01 -0.491341D-01
      3   0.836629D+01  0.135552D+01  0.154693D+01  0.127353D+01  0.147348D+01
                91            92            93            94            95 
      1   0.334854D+01  0.206710D+01 -0.205538D+01  0.185650D+01  0.179089D+01
      2  -0.490303D+01 -0.282787D+01  0.386571D+01 -0.224719D+01 -0.176297D+01
      3   0.256458D+01 -0.367558D+01 -0.637168D+00  0.577504D+00 -0.187034D+01
                96            97            98            99           100 
      1  -0.922663D+00 -0.162034D+01 -0.669523D+00  0.115824D+01  0.104513D+01
      2   0.145952D+01  0.264597D+01  0.164284D+01 -0.227328D+01 -0.156098D+01
      3   0.737502D-01 -0.118442D+00  0.179892D+01 -0.274958D+00 -0.365747D+01
               101           102           103           104           105 
      1  -0.163835D+01  0.334809D+01 -0.172768D+01  0.186654D+01 -0.395050D+01
      2   0.862429D+00  0.754506D-01  0.138432D+01 -0.120614D+01  0.270604D+00
      3   0.302255D+01 -0.230508D+01  0.641090D+01 -0.509274D+01  0.306874D+01
               106           107           108           109           110 
      1   0.245899D+01 -0.210222D+01  0.404436D+01 -0.874350D+00  0.812993D+00
      2  -0.226441D+01  0.982269D+00 -0.688057D+00  0.100124D+01  0.280767D+00
      3  -0.506924D+01  0.390984D+01 -0.374342D+01 -0.129490D+01 -0.289184D+00
               111           112           113           114           115 
      1   0.267205D+01  0.119886D+01 -0.268884D+01 -0.342802D+01  0.221848D+01
      2  -0.381166D+00  0.176651D+00  0.182184D+00  0.269157D+00 -0.266581D+01
      3   0.908747D+00  0.158995D+01 -0.111986D+01 -0.131526D+01  0.441693D+01
               116           117           118           119           120 
      1  -0.256546D+01 -0.118465D+02  0.202481D+01  0.356664D+01  0.725266D+00
      2   0.325243D+00  0.728729D+00 -0.321118D+00 -0.782045D+00  0.758079D+00
      3  -0.129010D+01 -0.267623D+01 -0.766571D+00 -0.334781D+01 -0.958652D+00
               121           122           123           124           125 
      1   0.271427D+01  0.124626D+02  0.168591D+01  0.120165D+01  0.393693D+01
      2  -0.285587D+01 -0.200056D+00  0.302794D+01 -0.192392D+01  0.751236D+00
      3  -0.141073D+00 -0.840069D+01 -0.216242D+01 -0.425011D+00 -0.162071D+01
               126           127           128           129           130 
      1   0.242875D+01  0.148281D+00 -0.254347D+01 -0.118355D+01 -0.721329D+00
      2   0.606444D+00  0.157012D+02  0.199275D+01 -0.613000D+01  0.182017D+01
      3  -0.180441D+01  0.382054D+01 -0.322383D+00 -0.137193D+01  0.191858D+01
               131           132           133           134           135 
      1   0.106301D+00  0.501654D+00 -0.507401D+00  0.268985D+01  0.490450D+00
      2   0.175102D+01 -0.124249D+01 -0.840283D+01 -0.131155D+01  0.629075D+01
      3   0.332735D+00 -0.122294D+01 -0.125311D+01 -0.246808D+00  0.152426D+01
               136           137           138           139           140 
      1  -0.266330D+01  0.468046D+01 -0.661302D-01  0.353123D+01 -0.474992D+01
      2  -0.373708D+01  0.214750D+01  0.127525D+01  0.367333D+01 -0.118511D+01
      3   0.370061D+00 -0.371010D+01  0.688603D+00 -0.185076D+00  0.354062D+01
               141           142           143           144           145 
      1   0.434425D+00 -0.119487D+01  0.315608D+01 -0.120406D+01 -0.664799D-01
      2  -0.187648D+01 -0.286936D+01 -0.255475D-01  0.651012D+00 -0.230518D+01
      3  -0.218537D+01 -0.181598D+00 -0.210757D+01  0.127043D+01  0.101014D+01
               146           147           148           149           150 
      1  -0.118815D-01 -0.663242D-01 -0.370015D+00  0.862579D-01 -0.564332D+00
      2  -0.302783D+00  0.471327D-01 -0.622597D+00 -0.184531D+01 -0.348740D+01
      3  -0.109232D+01  0.336310D+00 -0.413394D+00  0.392405D+00  0.239847D+01
               151           152           153           154           155 
      1   0.281090D+00  0.373437D+01 -0.253570D+01 -0.125992D+01 -0.172584D+01
      2  -0.125512D+01 -0.281143D+01 -0.228017D+02  0.199723D+01  0.814403D+00
      3   0.588997D+00  0.374278D+01  0.254309D+01 -0.429932D+01 -0.574933D+01
               156           157           158           159           160 
      1  -0.454959D+00 -0.165036D+01 -0.483779D+01 -0.195457D+01 -0.159093D+00
      2   0.194799D+01  0.119226D+01  0.242440D+01  0.417500D+01  0.428970D+00
      3   0.417877D+00 -0.343787D+01 -0.182180D+02 -0.342545D+00  0.198135D+00
               161           162           163           164           165 
      1   0.622530D+00 -0.583901D+00  0.247098D+01 -0.176361D+01  0.173982D+01
      2   0.139497D+01 -0.576911D+00  0.755030D+01 -0.376855D+01  0.598827D+01
      3  -0.171924D+01 -0.136874D+01  0.373527D+01 -0.754154D+01  0.995660D+00
               166           167           168           169           170 
      1  -0.201459D+01  0.175940D+01 -0.270328D+01  0.949273D+00 -0.376694D+00
      2  -0.401209D+01  0.391779D+01 -0.523250D+01  0.362625D+01 -0.306142D+01
      3  -0.469275D+01  0.647533D+01 -0.152556D+01  0.100518D+01 -0.330043D+01
               171 
      1   0.131859D+01
      2   0.283787D+01
      3   0.199817D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.150082D+01  0.116247D+02 -0.176427D+02  0.137177D+02 -0.235114D+02
      2  -0.602177D+01 -0.277273D+01  0.838187D+01 -0.490252D+01  0.905047D+01
      3   0.752259D+01 -0.885194D+01  0.926082D+01 -0.881513D+01  0.144609D+02
      4   0.156623D+02 -0.191285D+02  0.564983D+01 -0.266186D+02 -0.138540D+02
      5  -0.195109D+02  0.253295D+01  0.726292D+01  0.194894D+01 -0.366548D+01
      6   0.115403D+01  0.216207D+01 -0.916145D+00  0.271888D+01  0.550053D+01
                 6             7             8             9            10 
      1   0.452214D+01 -0.218088D+02  0.706608D+01  0.139140D+02 -0.812312D+01
      2   0.146585D+01  0.768879D+01  0.286371D+00  0.581660D+01 -0.917907D-01
      3  -0.598800D+01  0.141200D+02 -0.735245D+01 -0.197306D+02  0.821491D+01
      4  -0.563904D+01  0.823242D+01 -0.790336D+01  0.796623D+01 -0.288426D+01
      5   0.660810D+01  0.358004D+01  0.692022D+01  0.272234D+02  0.144101D+02
      6  -0.355834D+00  0.529745D+00 -0.612470D+00 -0.101375D+02 -0.418883D+01
                11            12            13            14            15 
      1  -0.493068D+00  0.117052D+02 -0.897389D+00  0.164090D+02  0.230849D+01
      2  -0.189244D+01 -0.755867D+01 -0.131349D+01 -0.209165D+02 -0.361471D+01
      3   0.238551D+01 -0.414649D+01  0.221088D+01  0.450752D+01  0.130622D+01
      4   0.743453D+01 -0.339645D+01  0.151452D+02  0.401616D+01  0.333872D+01
      5  -0.819168D+00 -0.279304D+01 -0.572591D+00  0.359513D+01 -0.149387D+01
      6   0.521434D+00  0.120298D+01  0.469887D+00 -0.547358D+01  0.395309D+01
                16            17            18            19            20 
      1   0.157764D+02  0.202214D+00  0.404183D+00 -0.813397D+01 -0.567733D+01
      2  -0.722998D+01 -0.126039D+01  0.148150D+01  0.122246D+02  0.204847D+01
      3  -0.854640D+01  0.105818D+01 -0.188568D+01 -0.409060D+01  0.362886D+01
      4  -0.492372D+01  0.354929D+01 -0.531064D+00 -0.327356D+01 -0.856515D+00
      5  -0.247781D+01 -0.178243D+00 -0.123620D+02 -0.384401D+01 -0.146382D+01
      6  -0.188060D+00 -0.868523D+00  0.208061D+01  0.168009D+00 -0.956674D+00
                21            22            23            24            25 
      1  -0.714838D+00  0.467031D-01 -0.193884D+00  0.101848D+01 -0.613701D+01
      2   0.172197D+01 -0.197483D+01 -0.477862D+01  0.476394D+00  0.210629D+01
      3  -0.100714D+01  0.192812D+01  0.497250D+01 -0.149487D+01  0.403073D+01
      4   0.786608D+00 -0.129239D+02 -0.197518D+01 -0.235474D+00  0.291007D+01
      5   0.178264D+01  0.211955D+01  0.661949D+00  0.193821D+01  0.183588D+01
      6  -0.235566D-01  0.953681D-01  0.341151D+01 -0.349436D+01 -0.399465D+00
                26            27            28            29            30 
      1   0.436725D+01  0.991386D+01 -0.554652D+01  0.106224D+02  0.719728D+00
      2  -0.264648D+01  0.119065D+02  0.611590D+00 -0.643881D+01 -0.478217D+01
      3  -0.172077D+01 -0.218203D+02  0.493493D+01 -0.418361D+01  0.406244D+01
      4  -0.734760D+00 -0.110718D+01  0.112699D+02 -0.812400D+01 -0.747690D+01
      5  -0.546778D+00 -0.559880D+00  0.756007D+01 -0.703592D+01 -0.107418D+02
      6   0.286372D+01  0.900931D+00 -0.379844D+01  0.620439D+00 -0.149844D+01
                31            32            33            34            35 
      1   0.175165D+02  0.540280D+01 -0.444294D+01  0.142570D+02 -0.348308D+01
      2  -0.103499D+02 -0.889897D+01  0.926710D+01 -0.853814D+01 -0.263699D+01
      3  -0.716668D+01  0.349617D+01 -0.482416D+01 -0.571890D+01  0.612007D+01
      4  -0.543172D+01 -0.175794D+01 -0.129014D+01 -0.107968D+02  0.703867D+01
      5  -0.161289D+02 -0.834534D+00 -0.202872D+01 -0.898990D+01  0.543729D+00
      6  -0.405680D+01 -0.669205D+01 -0.293672D+01 -0.208925D+01 -0.808115D+00
                36            37            38            39            40 
      1  -0.735548D+01 -0.178807D+02 -0.726992D+01  0.693603D+01 -0.790757D+01
      2   0.453925D+01  0.458477D+01  0.213530D+01 -0.380313D+01  0.410564D+01
      3   0.281624D+01  0.132959D+02  0.513462D+01 -0.313290D+01  0.380194D+01
      4   0.257285D+01 -0.145181D+02 -0.492512D+01  0.621460D+01  0.554747D+01
      5   0.141151D+02  0.697074D+01  0.377448D+01  0.628541D+01  0.788958D+01
      6  -0.562541D+01  0.523070D+01  0.256598D+01  0.120019D+01  0.530982D+01
                41            42            43            44            45 
      1  -0.175817D+02 -0.855349D+00  0.109540D+02  0.128294D+01 -0.432417D+01
      2   0.236030D+02 -0.961943D-01 -0.409242D+01  0.232593D+01 -0.302175D+01
      3  -0.602127D+01  0.951543D+00 -0.686159D+01 -0.360887D+01  0.734592D+01
      4   0.163313D+02  0.721913D+01  0.130911D+02  0.104056D+02  0.585694D+01
      5   0.762455D+01  0.776694D+01  0.105058D+02  0.875494D+01  0.133065D+02
      6   0.908760D+01  0.103787D+02  0.286049D+01  0.103684D+02  0.885982D+01
                46            47            48            49            50 
      1   0.117734D+02  0.468290D+01 -0.119049D+02  0.367515D+01 -0.608514D+01
      2   0.118559D+01 -0.744778D+00  0.245649D+01 -0.101603D+01  0.946518D+01
      3  -0.129590D+02 -0.393812D+01  0.944843D+01 -0.265912D+01 -0.338004D+01
      4   0.471239D+01 -0.129830D+02  0.786720D+01 -0.147488D+02 -0.354241D+01
      5  -0.603169D+01  0.856456D+01 -0.115074D+02  0.731429D+01 -0.187787D+02
      6   0.126000D+02 -0.123736D+02  0.162469D+00 -0.136447D+02 -0.582442D+01
                51            52            53            54            55 
      1   0.634845D+00 -0.107765D+02 -0.104367D+01 -0.616379D+01  0.109604D+02
      2  -0.513243D+00  0.191683D+01  0.174708D+00 -0.657004D+01 -0.793160D+01
      3  -0.121602D+00  0.885968D+01  0.868967D+00  0.127338D+02 -0.302884D+01
      4  -0.113194D+02  0.665095D+01 -0.782732D+01  0.183139D+01  0.426956D+01
      5   0.394715D+01 -0.112562D+02  0.206760D+01  0.106891D+02 -0.121177D+01
      6  -0.120826D+02  0.110087D+01 -0.871242D+01  0.283940D+01  0.369918D+01
                56            57            58            59            60 
      1  -0.110004D+02  0.208429D+01 -0.788121D+01 -0.639371D+01 -0.179902D+01
      2   0.166485D+02 -0.245190D+01  0.140491D+02  0.165343D+02  0.374720D+01
      3  -0.564807D+01  0.367619D+00 -0.616789D+01 -0.101406D+02 -0.194818D+01
      4  -0.846993D+00  0.235959D+01  0.733790D+01  0.161414D+02 -0.279920D+01
      5   0.186576D+01  0.225618D+01  0.507823D+00 -0.313541D+01  0.119761D+01
      6  -0.649940D+01  0.115266D+02 -0.554776D+01  0.403537D+01 -0.218653D+01
                61            62            63            64            65 
      1   0.387102D+01 -0.351983D+00  0.413331D+01  0.378243D+02 -0.958940D+01
      2  -0.337330D+01  0.338024D+01 -0.976008D+01 -0.202519D+02  0.326508D+01
      3  -0.497717D+00 -0.302825D+01  0.562677D+01 -0.175724D+02  0.632432D+01
      4   0.292931D+01 -0.201071D+01  0.978624D+01 -0.166872D+02  0.194413D+02
      5   0.443520D+01  0.339650D+01 -0.242223D+01 -0.169117D+02  0.750658D+01
      6   0.112864D+02 -0.570792D+01 -0.739049D+01  0.242723D+01 -0.222390D+01
                66            67            68            69            70 
      1  -0.941794D+01 -0.149039D+02  0.194837D+01  0.150987D+01 -0.142448D+02
      2   0.994346D+01  0.643311D+01  0.541500D+01 -0.293832D+01  0.996583D+01
      3  -0.525528D+00  0.847075D+01 -0.736337D+01  0.142845D+01  0.427895D+01
      4   0.763068D+01  0.177436D+02 -0.175647D+02 -0.855545D+01  0.617235D+01
      5   0.184352D+02  0.782645D+01 -0.865773D+01 -0.692885D+01  0.211752D+02
      6  -0.258166D+01 -0.342988D+01  0.332290D+01  0.757904D+01 -0.220961D+01
                71            72            73            74            75 
      1  -0.175869D-02  0.366043D+01  0.664170D+00  0.297089D+00  0.111906D+00
      2  -0.159593D+00 -0.146263D+02 -0.420483D+01  0.343480D+00 -0.226828D+00
      3   0.161352D+00  0.109659D+02  0.354066D+01 -0.640569D+00  0.114922D+00
      4  -0.121334D+02 -0.102714D+02  0.698979D-03  0.134893D+01 -0.667158D+00
      5  -0.852650D+01 -0.271961D+02  0.433687D-01  0.429856D-01  0.573262D+01
      6   0.707004D+01  0.481537D+01 -0.439958D+00  0.364997D-01 -0.162776D-01
                76            77            78            79            80 
      1   0.962733D+00 -0.379569D+01 -0.118914D+01  0.720390D+00  0.576819D+00
      2   0.313548D+00  0.345929D+00 -0.170485D+01  0.904340D-01 -0.236819D+01
      3  -0.127628D+01  0.344976D+01  0.289399D+01 -0.810824D+00  0.179137D+01
      4   0.228242D+01 -0.177065D+00  0.490430D-01 -0.347182D+00  0.254769D+00
      5   0.112215D+00 -0.243229D+00 -0.146335D+00  0.537643D+01  0.219546D+00
      6   0.162406D+00  0.469895D+00  0.620637D+01  0.913264D-01  0.492397D+01
                81            82            83            84            85 
      1  -0.193072D+02 -0.813235D+00 -0.342675D+01 -0.196712D+01 -0.539786D+01
      2  -0.160979D+02  0.430116D+01  0.465169D+01  0.171636D+01  0.600696D+01
      3   0.354050D+02 -0.348793D+01 -0.122494D+01  0.250764D+00 -0.609096D+00
      4   0.495874D+00  0.919520D+00  0.367686D+01  0.832083D+00  0.316299D+01
      5   0.123194D+01 -0.131866D+01  0.608183D+00  0.102646D+01  0.112629D+01
      6  -0.305876D+01  0.127945D+01  0.937406D+00  0.793906D+00  0.744441D+00
                86            87            88            89            90 
      1  -0.187682D+02 -0.133898D+01 -0.314745D+01 -0.227509D+01 -0.410820D+01
      2   0.311350D+02  0.386052D+01  0.194617D+01  0.290319D+01  0.273493D+01
      3  -0.123669D+02 -0.252154D+01  0.120128D+01 -0.628106D+00  0.137327D+01
      4  -0.874551D+01 -0.156982D+01  0.477056D+00 -0.151761D+01 -0.100435D+01
      5  -0.158513D+01 -0.303187D+01  0.224670D+01 -0.151705D+01  0.594127D+00
      6   0.531945D+01  0.564833D+01  0.141176D+01  0.713166D+01  0.274415D+01
                91            92            93            94            95 
      1   0.367106D+02  0.151491D+02 -0.244799D+01  0.577228D+01  0.453033D+01
      2  -0.131974D+02 -0.279977D+01  0.135822D+00  0.105077D+01  0.270284D+01
      3  -0.235132D+02 -0.123493D+02  0.231216D+01 -0.682305D+01 -0.723317D+01
      4   0.286983D+02  0.202740D+02 -0.110480D+01  0.127318D+02  0.126558D+02
      5   0.202546D+01  0.141419D+01  0.545991D+01  0.365726D+00  0.730206D+00
      6  -0.121224D+01  0.150988D+00  0.266142D+01  0.324607D+00  0.305055D+00
                96            97            98            99           100 
      1  -0.550085D+00 -0.101742D+02 -0.478086D+01  0.311468D+01 -0.185848D+01
      2  -0.279032D+00  0.324780D+01  0.185574D+00 -0.139083D+01  0.486003D+01
      3   0.829116D+00  0.692645D+01  0.459529D+01 -0.172385D+01 -0.300155D+01
      4  -0.659209D+00 -0.961978D+01 -0.731807D+01  0.437040D+01 -0.552897D+01
      5   0.197504D+01  0.558165D+01  0.301573D+01 -0.213778D+01  0.287575D+01
      6   0.194092D+01  0.344185D+01  0.280136D+01 -0.167228D+01 -0.560692D+01
               101           102           103           104           105 
      1   0.799382D+01 -0.370748D+01  0.574538D+01 -0.146403D+02  0.624051D+01
      2  -0.124830D+02  0.432382D+01 -0.937913D+01  0.232870D+02 -0.846693D+01
      3   0.448919D+01 -0.616333D+00  0.363375D+01 -0.864666D+01  0.222642D+01
      4   0.989303D+01 -0.469848D+01  0.911713D+01 -0.990256D+01  0.465261D+01
      5  -0.305605D+01  0.371112D+01 -0.198625D+01  0.321392D+01 -0.178406D+01
      6   0.901349D+01 -0.766604D+01  0.678742D+01 -0.137488D+02  0.102446D+02
               106           107           108           109           110 
      1  -0.456503D+01  0.942872D+01 -0.831171D+01 -0.706090D+00  0.295132D+01
      2   0.497440D+01 -0.109876D+02  0.613046D+01  0.132638D+01 -0.432064D+01
      3  -0.409371D+00  0.155889D+01  0.218125D+01 -0.620292D+00  0.136932D+01
      4  -0.621256D+01  0.623702D+01 -0.558964D+01 -0.142007D-01  0.319906D+01
      5   0.359819D+01 -0.295165D+01  0.310912D+01 -0.123570D+01 -0.327913D+00
      6  -0.745496D+01  0.140186D+02 -0.122775D+02  0.809120D+00 -0.213858D+01
               111           112           113           114           115 
      1   0.132372D+01  0.125661D+01 -0.496294D+01 -0.287764D+01  0.608684D+00
      2  -0.187459D+01 -0.185825D+01  0.764043D+01  0.428733D+01 -0.158672D+01
      3   0.550866D+00  0.601644D+00 -0.267749D+01 -0.140969D+01  0.978034D+00
      4   0.562422D+00  0.367604D+01 -0.212215D+01 -0.168322D+01  0.406397D+01
      5   0.138283D+01 -0.442095D-01 -0.402946D+00 -0.248720D+00  0.516327D+00
      6  -0.406597D+01 -0.191333D+01  0.432145D+01  0.746623D+01 -0.396979D+01
               116           117           118           119           120 
      1  -0.758247D+01 -0.672218D+01  0.368402D+01  0.271244D+01  0.157857D+01
      2   0.102521D+02  0.448408D+01 -0.357344D+01 -0.210856D+01 -0.312042D+01
      3  -0.266964D+01  0.223811D+01 -0.110575D+00 -0.603876D+00  0.154185D+01
      4  -0.228174D+01 -0.357678D+01  0.469703D+01  0.787224D+01  0.172606D+01
      5  -0.936320D+00 -0.181646D+00  0.669708D+01  0.446339D+01  0.781426D+01
      6   0.799746D+01  0.175908D+02  0.261431D+01  0.640959D+01  0.229589D+01
               121           122           123           124           125 
      1   0.478254D+01 -0.193565D+01 -0.408091D+01  0.726918D+00 -0.228020D+01
      2  -0.402136D+01  0.112785D+01 -0.531402D+01 -0.171543D+01 -0.238419D+01
      3  -0.761173D+00  0.807798D+00  0.939494D+01  0.988510D+00  0.466439D+01
      4   0.768870D+01  0.149916D+02  0.692040D+01  0.931606D+00  0.414528D+01
      5   0.806399D+01  0.108244D+02  0.100555D+02  0.545376D+01  0.480724D+01
      6   0.665688D+01  0.181800D+02  0.100950D+02  0.215047D+01  0.873213D+01
               126           127           128           129           130 
      1  -0.284576D+01 -0.915869D+01 -0.380151D+01  0.135642D+02 -0.261357D+01
      2  -0.245844D+01 -0.733652D+00  0.147426D+01  0.387102D+01  0.139486D+01
      3   0.530420D+01  0.989234D+01  0.232724D+01 -0.174352D+02  0.121871D+01
      4   0.365379D+01  0.436116D+01  0.248356D+01 -0.299541D+01  0.355684D+01
      5   0.477076D+01 -0.125696D+02 -0.266012D+01  0.564795D+01 -0.270621D+01
      6   0.518518D+01 -0.521888D+01 -0.487968D+01  0.562775D+01 -0.248739D+01
               131           132           133           134           135 
      1  -0.322961D+01  0.279364D+01  0.952053D+01  0.261276D+01 -0.124340D+02
      2   0.922814D+00 -0.423459D+00  0.205890D+01 -0.293946D+00 -0.539006D+01
      3   0.230680D+01 -0.237018D+01 -0.115794D+02 -0.231881D+01  0.178241D+02
      4   0.120940D+01  0.730685D+00 -0.215634D+01  0.392262D+00  0.163768D+01
      5   0.533775D+00  0.141079D+00  0.823677D+01  0.728334D+00 -0.463776D+01
      6  -0.255346D+01  0.612899D+01  0.316524D+01  0.571322D+01 -0.494938D+01
               136           137           138           139           140 
      1   0.115070D+02 -0.390779D+01  0.227522D+01 -0.529709D+01 -0.157291D+01
      2  -0.857497D+01  0.118199D+01 -0.658830D+01  0.186078D+01  0.416496D+01
      3  -0.293198D+01  0.272580D+01  0.431308D+01  0.343630D+01 -0.259205D+01
      4  -0.136067D+02  0.129785D+02 -0.780988D+01  0.138873D+02 -0.144944D+02
      5   0.191611D+02 -0.110517D+02  0.169112D+02 -0.129048D+02  0.128366D+02
      6  -0.102162D+02  0.109396D+02 -0.842477D+01  0.104918D+02 -0.145292D+02
               141           142           143           144           145 
      1   0.327590D+01  0.213130D+01  0.222485D+01 -0.238220D+01  0.798237D+00
      2   0.229383D+01 -0.501510D+01  0.169630D+01 -0.559854D+01 -0.237977D+01
      3  -0.556973D+01  0.288381D+01 -0.392116D+01  0.798074D+01  0.158153D+01
      4   0.910672D+01 -0.526661D+01  0.596038D+01 -0.713734D+01 -0.161443D+01
      5  -0.122140D+02  0.127158D+02 -0.814435D+01  0.125161D+02 -0.265264D+01
      6   0.130727D+02 -0.628775D+01  0.972939D+01 -0.967062D+01  0.135569D+01
               146           147           148           149           150 
      1  -0.203833D+01 -0.461996D+01 -0.315092D+01 -0.192412D+00 -0.307357D+01
      2   0.904987D+00  0.221119D+01  0.138584D+01 -0.495923D+00 -0.132272D+00
      3   0.113334D+01  0.240877D+01  0.176508D+01  0.688336D+00  0.320584D+01
      4   0.271976D+01  0.654366D+00  0.529922D+01 -0.182312D+01 -0.493418D+01
      5   0.583300D+00  0.539457D+01  0.194274D+01 -0.458260D+01 -0.591984D+01
      6   0.183567D+00  0.548049D+00 -0.148811D+01  0.329528D+01  0.779736D+01
               151           152           153           154           155 
      1  -0.763213D+01 -0.278950D+01 -0.144930D+02  0.120633D+02  0.791481D+01
      2   0.750411D+01 -0.114748D+00 -0.177563D+02 -0.340199D+01 -0.309261D+01
      3   0.128026D+00  0.290425D+01  0.322493D+02 -0.866136D+01 -0.482220D+01
      4   0.222541D+01 -0.673511D+01 -0.613579D+01  0.833853D+01  0.137843D+02
      5   0.143149D+02 -0.566283D+01 -0.427475D+02 -0.187697D-01 -0.162738D+01
      6  -0.245239D+01  0.830423D+01  0.120803D+02 -0.174000D+01 -0.256314D+01
               156           157           158           159           160 
      1   0.165376D+01  0.179475D+02  0.101547D+02 -0.950122D+00  0.545837D+01
      2  -0.419695D+00 -0.777818D+01  0.165833D+01  0.170860D+01 -0.195717D+01
      3  -0.123406D+01 -0.101693D+02 -0.118131D+02 -0.758474D+00 -0.350120D+01
      4  -0.619107D+00  0.166877D+02  0.303856D+02  0.111341D+00  0.239338D+00
      5   0.267575D+01 -0.431741D+01 -0.238299D+00  0.800173D+01  0.335050D+01
      6   0.716568D+00 -0.233584D+01 -0.696201D+01  0.225874D+01  0.114525D+01
               161           162           163           164           165 
      1   0.245081D+00 -0.379368D+00  0.450517D+02 -0.162856D+02  0.686951D+01
      2   0.381934D+00 -0.140843D+01 -0.173888D+02  0.377036D+01 -0.213585D+01
      3  -0.627015D+00  0.178780D+01 -0.276629D+02  0.125152D+02 -0.473366D+01
      4   0.267271D+01  0.311158D+01 -0.244581D+02  0.193584D+02 -0.354147D+01
      5   0.366435D+01 -0.205436D+01  0.286107D+01 -0.134053D+01  0.804851D+01
      6   0.263077D+01  0.749169D+00  0.108376D+01 -0.190609D+01 -0.154298D+01
               166           167           168           169           170 
      1  -0.236028D+02  0.126846D+02 -0.246196D+01  0.162617D+02 -0.473395D+01
      2   0.645148D+01  0.150419D+01 -0.992087D+00 -0.619083D+01 -0.500672D-01
      3   0.171513D+02 -0.141888D+02  0.345404D+01 -0.100709D+02  0.478402D+01
      4   0.238453D+02 -0.194285D+02  0.385578D+01 -0.860052D+01  0.780611D+01
      5  -0.557189D+00  0.210347D+01 -0.783507D+01  0.778738D+01 -0.531064D+01
      6  -0.155841D+01  0.508233D+00  0.307119D+01 -0.178834D+01  0.202489D+01
               171 
      1   0.382972D+01
      2  -0.287138D+01
      3  -0.958337D+00
      4  -0.592941D+01
      5   0.404245D+01
      6  -0.108995D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524544D+00      0.133326D+01      0.444727D+01
   x         -0.109423D+00     -0.278125D+00     -0.927727D+00
   y         -0.400662D+00     -0.101838D+01     -0.339695D+01
   z         -0.320379D+00     -0.814323D+00     -0.271629D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746455D+02      0.110613D+02      0.123074D+02
   aniso      0.120987D+02      0.179284D+01      0.199481D+01
   xx         0.817942D+02      0.121206D+02      0.134860D+02
   yx         0.244032D-01      0.361618D-02      0.402354D-02
   yy         0.723062D+02      0.107147D+02      0.119217D+02
   zx        -0.239604D+01     -0.355056D+00     -0.395053D+00
   zy         0.178837D+01      0.265008D+00      0.294862D+00
   zz         0.698362D+02      0.103487D+02      0.115144D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.801241D+02      0.118732D+02      0.132107D+02
   aniso      0.133777D+02      0.198237D+01      0.220568D+01
   xx         0.879867D+02      0.130383D+02      0.145070D+02
   yx         0.343827D+00      0.509499D-01      0.566894D-01
   yy         0.776004D+02      0.114992D+02      0.127946D+02
   zx        -0.270068D+01     -0.400199D+00     -0.445282D+00
   zy         0.197378D+01      0.292483D+00      0.325432D+00
   zz         0.747852D+02      0.110820D+02      0.123304D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          4.75026756         -0.15711797          0.31957025
     6          2.06418631          0.89413164          0.39051010
     6          0.11826952         -1.28759041          0.16235884
     6         -2.51772105         -0.30220051          0.77124117
     8         -2.79069695          0.24622394          3.25369674
     6          1.67001352          2.90368611         -1.64793261
     7          0.25115471         -2.51757682         -2.28856770
     8         -4.19161699          0.00838864         -0.73831367
     1          0.59189640         -2.67339358          1.61746430
     1          1.75053970          1.76689693          2.23637957
     1         -4.48525778          0.90975516          3.47799657
     1         -0.59378164         -4.23279565         -2.21981709
     1         -0.72782771         -1.49413257         -3.57957482
     1          2.03779575          2.12856072         -3.52402665
     1         -0.24790244          3.66383769         -1.63142045
     1          2.97318834          4.47510241         -1.35961371
     1          5.07458207         -1.48308483          1.86776534
     1          5.08910123         -1.14870337         -1.45391453
     1          6.12800392          1.36863401          0.49120195

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524544D+00      0.133326D+01      0.444727D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.524544D+00      0.133326D+01      0.444727D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746455D+02      0.110613D+02      0.123074D+02
   aniso      0.120987D+02      0.179284D+01      0.199481D+01
   xx         0.822227D+02      0.121842D+02      0.135567D+02
   yx        -0.337069D+00     -0.499485D-01     -0.555752D-01
   yy         0.688503D+02      0.102026D+02      0.113519D+02
   zx        -0.545479D+00     -0.808316D-01     -0.899373D-01
   zy         0.113777D+01      0.168600D+00      0.187592D+00
   zz         0.728635D+02      0.107973D+02      0.120136D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.801241D+02      0.118732D+02      0.132107D+02
   aniso      0.133777D+02      0.198237D+01      0.220568D+01
   xx         0.884221D+02      0.131028D+02      0.145788D+02
   yx        -0.606423D+00     -0.898626D-01     -0.999856D-01
   yy         0.736849D+02      0.109190D+02      0.121490D+02
   zx        -0.794054D+00     -0.117667D+00     -0.130922D+00
   zy         0.132962D+01      0.197029D+00      0.219225D+00
   zz         0.782652D+02      0.115977D+02      0.129042D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U22-24\Freq\RLC-PBEPBE\Gen\C5H11N1O2\PIERPA\16-Aug-2021\0
 \\#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight
 ) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=0337000
 000,3/108=0337000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=
 -1)\\ROA calculations.\\0,1\C,2.402321,-0.324803,-0.691175\C,1.066507,
 -0.567672,0.007328\C,-0.024429,0.362752,-0.585977\C,-1.397283,-0.07794
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 948\N,0.250162,1.76159,-0.305646\O,-2.076243,0.515013,0.704731\H,-0.01
 3738,0.21752,-1.668707\H,0.746938,-1.591919,-0.201878\H,-2.645686,-1.4
 78069,-0.261271\H,-0.282255,2.356926,-0.927888\H,-0.05781,1.989245,0.6
 33366\H,1.549661,0.599343,1.774413\H,0.244241,-0.564166,2.035583\H,1.9
 15182,-1.11645,1.920072\H,2.32899,-0.520041,-1.763324\H,2.720648,0.708
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 State=1-A\HF=-402.5716231\RMSD=4.506e-09\RMSF=3.826e-06\ZeroPoint=0.16
 42446\Thermal=0.1738148\Dipole=-0.109423,-0.400662,-0.3203792\DipoleDe
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 0.0058984,-0.024293,0.0084255,0.000663,-0.0107241,-0.0266162,-0.107208
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 467151,-0.0988867,0.0822939,-0.025028,0.1113942,-0.0157355,0.0476918,-
 0.0601175,0.0666647,0.0253722\Polar=81.7941946,0.0244032,72.3061945,-2
 .3960367,1.7883652,69.8361564\Quadrupole=-0.7459567,0.9273953,-0.18143
 86,1.1924368,2.3877746,-1.5190768\PG=C01 [X(C5H11N1O2)]\NImag=0\\0.486
 47153,-0.01717222,0.56834755,0.04445902,0.00711166,0.55036377,-0.15474
 543,-0.01846740,0.04135110,0.47062821,-0.01874653,-0.08333208,0.008168
 24,0.05585494,0.56339819,0.04147837,0.00800234,-0.09788732,0.00105453,
 0.03157708,0.46765573,-0.03285150,0.02243943,-0.01099603,-0.10616936,0
 .01386471,-0.01522204,0.41171712,0.00272595,0.00385932,-0.00317083,0.0
 2994031,-0.09220740,0.01476401,0.01387217,0.48521701,0.00722351,-0.007
 17774,0.00453345,-0.02508343,0.01236562,-0.08462609,-0.01428906,0.0477
 6447,0.59885343,-0.00043414,0.00019169,-0.00014526,-0.03456060,0.00951
 323,0.00307000,-0.13736080,-0.02423130,0.01899758,0.65236691,0.0039006
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 ONE BIG VICE IN A MAN IS APT TO KEEP OUT MANY SMALLER ONES.

                           -- BRET HARTE
 Job cpu time:       0 days  3 hours  2 minutes 29.6 seconds.
 Elapsed time:       0 days  0 hours 22 minutes 53.2 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:42:47 2021.
